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[ CAS No. 16629-19-9 ] {[proInfo.proName]}

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Chemical Structure| 16629-19-9
Chemical Structure| 16629-19-9
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Product Details of [ 16629-19-9 ]

CAS No. :16629-19-9 MDL No. :MFCD00005426
Formula : C4H3ClO2S2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VNNLHYZDXIBHKZ-UHFFFAOYSA-N
M.W : 182.65 Pubchem ID :85518
Synonyms :
Chemical Name :Thiophene-2-sulfonyl chloride

Calculated chemistry of [ 16629-19-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 37.4
TPSA : 70.76 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.6
Log Po/w (XLOGP3) : 1.16
Log Po/w (WLOGP) : 2.76
Log Po/w (MLOGP) : 0.43
Log Po/w (SILICOS-IT) : 2.17
Consensus Log Po/w : 1.63

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.05
Solubility : 1.63 mg/ml ; 0.00895 mol/l
Class : Soluble
Log S (Ali) : -2.24
Solubility : 1.05 mg/ml ; 0.00574 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.21
Solubility : 1.13 mg/ml ; 0.00621 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.61

Safety of [ 16629-19-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 16629-19-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 16629-19-9 ]

[ 16629-19-9 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 16629-19-9 ]
  • [ 33084-49-0 ]
  • N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
34% EXAMPLE 27 N-(4-Bromo-3-methyl-5-isoxazolyl)-2-thiophenesulfonamide N-(4-Bromo-3-methyl-5-isoxazolyl)-2-thiophenesulfonamide was prepared from <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> and 2-thiophenesulfonyl chloride according to the procedures described in Example 5. The crude product was purified by recrystallization from ethyl acetate/hexanes to give a crystalline solid, m.p. 125-127 C., yield 34%.
34% EXAMPLE 67 N-(4-Bromo-3-methyl-5-isoxazolyl)-2-thiophenesulfonamide N-(4-Bromo-3-methyl-5-isoxazolyl)-2-thiophenesulfonamide was prepared from <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> and 2-thiophenesulfonyl chloride according to the procedures described in Example 45. The crude product was purified by recrystallization from ethyl acetate/hexanes to give a crystalline solid, m.p. 125-127 C., yield 34%.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 9 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (1 77 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture slowly attained ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5 N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl (pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34% yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 1 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture slowly attained ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5 N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl (pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34% yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 9 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture slowly attained ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5 N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl (pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34% yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 1 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture slowly attained ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5 N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl (pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34 % yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 1 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulf onamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture was slowly attained the ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl (pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34 % yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 1 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture slowly attained ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5 N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl (pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34 % yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 9 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 mL) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 mL) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 mL) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture slowly attained ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 mL), the pH was adjusted to 10-11 by adding 5N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 mL) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCI (pH 2-3) and extracted with methylene chloride (3*10 mL). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34% yield), m.p. 125-127 C.
With sodium hydroxide; In tetrahydrofuran; water; mineral oil; EXAMPLE 1 N-(4-Bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide A solution of <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> (177 mg, 1.0 mmol) in dry tetrahydrofuran (THF, 2 ml) was added to a suspension of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.2 mmol) in dry THF (1 ml) at 0-5 C. After stirring at 0-5 C. for 5 min., the reaction was stirred at room temperature for 10 min to complete the reaction. The reaction mixture was re-cooled to 0 C. and thiophene-2-sulfonyl chloride (200 mg, 1.1 mmol) dissolved in dry THF (2 ml) was added dropwise. Stirring was continued for 1 h; during this period the reaction mixture was slowly attained the ambient temperature. THF was removed under reduced pressure. The residue was dissolved in water (10 ml), the pH was adjusted to 10-11 by adding 5N sodium hydroxide solution, and was extracted with ethyl acetate (3*10 ml) to remove the neutral impurities. The aqueous layer was acidified with concentrated HCl(pH 2-3) and extracted with methylene chloride (3*10 ml). The combined organic layers was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give N-(4-bromo-3-methyl-5-isoxazolyl)thiophene-2-sulfonamide. The pure material was obtained by recrystallization using hexanes/ethyl acetate (110 mg, 34 % yield), m.p. 125-127 C.

  • 2
  • [ 16629-19-9 ]
  • [ 75-64-9 ]
  • [ 100342-30-1 ]
YieldReaction ConditionsOperation in experiment
5.62 g (94%) In tetrahydrofuran; Step A: N-(1,1-Dimethylethyl)-2-thiophenesulfonamide To a solution of t-butylamine (8.35 g, 0.114 mol) in dry tetrahydrofuran (THF) (20 mL) cooled to 0 C. was added dropwise 2-thiophenesulfonyl chloride (5.0 g, 27.4 mmol). After the addition was completed, the reaction mixture was warmed to ambient temperature and stirred overnight. The mixture was extracted with ethyl acetate (3*80 mL) and the combined extracts were washed with water, dried over molecular sieves and concentrated. The residue was chromatographed on (silica, eluding with 25% ethyl acetate-hexane) to yield 5.62 g (94%) of solid: mp 80-82 C.
5.62 g (94%) In tetrahydrofuran; Step A: N-(1,1-Dimethylethyl)-2-thiophenesulfonamide To a solution of t-butylamine (8.35 g, 0.114 mol) in dry tetrahydrofuran (THF) (20 mL) cooled to 0 C. was added dropwise 2-thiophenesulfonyl chloride (5.0 g, 27.4 mmol). After the addition was completed, the reaction mixture was warmed to ambient temperature and stirred overnight. The mixture was extracted with ethyl acetate (3*80 mL) and the combined extracts were washed with water, dried over molecular sieves and concentrated. The residue was chromatographed on silica, eluding with 25% ethyl acetate-hexane, to yield 5.62 g (94%) of solid: mp 80-82 C.
In chloroform; at 0 - 20℃; for 1.16667h;Heating / reflux; Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHC13 (200 mL) under N2 atmosphere and then cooled to 0C. tert-Butylamine (25.9 mL, 0.246 mol) dissolved in CHC13 (50 mL) was then added dropwise to the reaction mixture. The reaction mixture was stirred for 1 h at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated in vacuo. The sub-title product was used without further purification in the next step. IH NMR B (CDC13) : 7.60 (1H, dd, J= 1.3, 3.8 Hz), 7.53 (1H, dd, J= 1.3, 5.0 Hz), 7.02 (1H, dd, J = 5. 0,3. 8 Hz), 5.13 (1H, m), 1.24 (9H, m) 13C NMR B (CDC13) : 145.0, 131.7, 131.2, 127.0, 55.1, 29.9
In chloroform; at 0℃; for 1.16667h;Heating / reflux; Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHC13 (200 mL) under N2 atmosphere and then cooled to 0C. TERT-BUTYLAMINE (25.9 mL, 0.246 mol) dissolved in CHC13 (50 ML) was then added dropwise to the reaction mixture. The reaction mixture was stirred for 1 hour at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated in vacuo. The sub-title product was used without further purification in the next step. 1H NMR No.(CDCL3) : 7.60 (1H, dd, J= 1.3, 3.8 Hz), 7.53 (1H, dd, J= 1.3, 5.0 Hz), 7.02 (1H, dd, J = 5.0, 3.8 Hz), 5. 13- (1 H, m), 1.24 (9H, m) 13C NMR 6 (CDC13) : 145.0, 131.7, 131.2, 127.0, 55.1, 29.9
In chloroform; at 20℃; for 1.16667h;Heating / reflux; Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHC13 (200 mL) under N2 atmosphere and then cooled to 0C. tert-Butylamine (25.9 mL, 0.246 mol) dissolved in CHC13 (50 ML) was then added dropwise to the reaction mixture. The reaction mixture was stirred for 1 h at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated IFS vacuo. The sub-title product was used without further purification in the next step. LH NMR B (CDC13) : 7.60 (1H, dd, J= 1.3, 3.8 Hz), 7.53 (1H, dd, J= 1.3, 5.0 Hz), 7.02 (1H, dd, J = 5. 0,3. 8 HZ), 5.13 (1H, m), 1.24 (9H, m) 13C NMR 8 (CDC13) : 145.0, 131.7, 131.2, 127.0, 55.1, 29.9
In chloroform; at 0 - 20℃; for 1.16667h;Heating / reflux; Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHC13 (200 mL) under N2 atmosphere and then cooled to 0oC. tert-Butylamine (25.9 ML9 0.246 mol) dissolved in CHC13 (50 mL) was then added dropwise to the reaction mixture. The reaction mixture was stirred for 1 h at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated in vacuo. The sub-title product was used without further purification in the next step. 'H NMR (CDC13) 8 7.60 (1H, dd, J=1.3, 3.8 Hz), 7.53 (1H, dd, J=1.3, 5.0 Hz), 7.02 (1H, dd, J=5.0, 3. 8 Hz), 5.13 (1H, m), 1.24 (9H, M) 13C NMR (CDC13) 5 145.0, 131.7, 131.2, 127.0, 55.1, 29.9
In chloroform; at 0 - 20℃; for 1.16667h;Heating / reflux; (a) LambdaLfe7Y-Butylthiophene-2-sulfonamide; Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHCl3 (200 mL) under N2 atmosphere and then cooled to 00C. tert-Butylamine (25.9 mL, 0.246 mol) dissolved in CHCl3 (50 mL) was then added' drop wise to the reaction mixture. The reaction mixture was stirred for 1 h at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated in vacuo. The sub-title product was used without further purification in the next step.1H NMR delta (CDCl3): 7.60 (IH, dd, J=1.3, 3.8 Hz), 7.53 (IH, dd5 J=I .3, 5.0 Hz), 7.02 (IH, dd, J=5.0, 3.8 Hz), 5.13(1H, m), 1.24 (9H5 m). 13C NMR delta (CDCl3): 145.0, 131.7, 131.2, 127.0, 55.1, 29.9.
In chloroform; at 0 - 20℃; for 1.16667h;Heating / reflux; (a) N-fe7f-Butylthiopliene-2-sulfonamide;Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHCl3 (200 mL) under N2 atmosphere and then cooled to 0C. fez-f-Butylamine (25.9 mL, 0.246 mol) dissolved in CHCl3 (50 mL) was then added dropwise to the reaction mixture. The reaction mixture was stirred for 1 h at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated in vacuo. The sub-title product was used without further purification in the next step. 1H NMR (CDCl3) delta 7.60 (IH, dd, J=1.3, 3.8 Hz), 7.53 (IH, dd, J=1.3, 5.0 Hz), 7.02 (IH, dd, J=5.0, 3.8 Hz), 5.13 (IH, m), 1.24 (9H, m). 13C NMR (CDCl3) delta 145.0, 131.7, 131.2, 127.0, 55.1, 29.9.
In chloroform; at 0 - 20℃; for 1.16667h;Heating / reflux; (a) iV-fert-Butylthiophene-2-sulfonamide; Thiophene-2-sulfonyl chloride (15 g, 0.082 mol) was dissolved in CHCl3 (200 mL) under N2 atmosphere and then cooled to 0C. fe/Y-Butylamine (25.9 mL, 0.246 mol) dissolved in CHCl3 (50 mL) was then added dropwise to the reaction mixture. The reaction mixture was stirred for 1 h at room temperature and then at reflux for 10 min. Toluene (700 mL) was added and the organic phase was washed with water (3 x 50 mL), dried, and concentrated in vacuo. The sub-title product was used without further purification in the next step.1H NMR delta (CDCl3): 7.60 (IH, dd, J=I .3, 3.8 Hz)5 7.53 (IH, dd, J=1.3, 5.0 Hz), 7.02 (IH5 dd, J=5.0, 3.8 Hz)5 5.13(1H, m), 1.24 (9H5 m). 13C NMR delta (CDCl3): 145.0, 131.7, 131.2, 127.0, 55.1, 29.9.

  • 3
  • [ 16629-19-9 ]
  • [ 2133-34-8 ]
  • [ 309977-57-9 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium carbonate; In water; Step A. N-(2-Thiophene-sulfonyl)-azetidine-2(S)-carboxylic Acid To a magnetically stirred mixture of azetidine-2(S)-carboxylic acid (1.0 g, 10 mmol) and Na2CO3 (2.1 g, 20 mmol) in 30 mL of water at 0 C. was added thiophene-2-sulfonyl chloride (1.8 g, 10 mmol), and the reaction was allowed to slowly warm up to room temperature overnight. The reaction was quenched by careful addition of concentrated HCl at 0 C. to pH above 2, and the product was extracted with EtOAc (3*15 mL). The extracts were dried over Na2SO4, and concentrated to dryness to provide the title compound as a white solid, which is >90% pure by 1H-NMR and used without further purification. 400 MHz 1H NMR (CD3OD): delta 2.2-2.4 (m, 2H), 3.7-3.9 (m, 2H), 4.42 (dd, 1H), 7.30 (dd, 1H), 7.75 (dd, 1H), 7.95 (dd, 1H).
  • 4
  • [ 16629-19-9 ]
  • [ 120-35-4 ]
  • 3-(Thiophene-2-sulfonylamino)-4-methoxy-N-phenyl-benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With pyridine; Example 142 3-(Thiophene-2-sulfonylamino)-4-methoxy-N-phenyl-benzamide Prepared according to the procedure described for Example 121 using 2-thiophenesulfonyl chloride (1.82 g, 10 mmol), 3-amino-4-methoxy-N-phenyl-benzamide (2.43 g, 10 mmol), and pyridine (25 mL) to afford the product (3.457 g); m.p. 180-183 C. after trituration in hexanes/ethyl acetate (1:1).
  • 5
  • [ 59378-87-9 ]
  • [ 16629-19-9 ]
  • [ 1095340-36-5 ]
  • 6
  • [ 16629-19-9 ]
  • [ 24629-25-2 ]
  • N-[(1S,2S)-1-(Hydroxymethyl)-2-methylbutyl]thiophene-2-sulfonamide [ No CAS ]
  • 7
  • [ 16629-19-9 ]
  • [ 56293-29-9 ]
  • 12-N-(2-thiophenesulfonyl)aloperine [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With potassium carbonate; In dichloromethane; at 0 - 20℃; General procedure: To a stirred solution of <strong>[56293-29-9]aloperine</strong> (2.0 mmol) and K2CO3(6.0 mmol) in dichloromethane (20 mL), and the substituted benzoylchloride or sulfonyl chloride (2.0 mmol) was added. The reactionmixture was stirred at 0 C for 1e2 h until TLC analysisshowed completion of the reaction. Then the solvent was washedsuccessively with water (20 mL), brine (20 mL). The organic layerwas concentrated and purified by flash column chromatography onsilica gel with CH2Cl2/CH3OH as the eluent to get target compounds3aeb or 4aee.
  • 8
  • [ 16629-19-9 ]
  • [ 38226-86-7 ]
  • C25H22O8S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
77.1% With triethylamine; In dichloromethane; at 25℃; for 4h; General procedure: To a mechanically stirred suspension of suspension of 1 (0.21 g, 0.53 mmol) in 30 ml CH2Cl2 were added triethylamine (0.5 ml) and aromatic sulfonyl chloride (0.53 mmol) at 25 C for 4 h. The reaction process was detected by TLC method. Then, antagonized by dilute sodium hydroxide, extracted, and washed with ether and water, evaporated under vacuum. Finally, the mixture was recrys-tallizated from ethyl acetate , providing a total product yield of 65.4%-88.6 %.2-(11-Chlorobenzofuro[3,2-b]quinolin-7-yloxy)-N,N-dimethy-lethanamine (2): Yellow solid; yield 0.2 g, 77.1 %; m. p. 218-219 C; 1 H NMR (400 MHz, DMSO-d6): δ 11.85 (s, 1H), 8.05 (d, J = 6.1 Hz, 1H), 7.82 (d, J = 8.9 Hz, 2H), 7.69 (d, J = 5.0 Hz, 1H), 7.09 - 7.04 (m, 1H), 6.99 (d, J = 8.9 Hz, 2H), 6.24 (s, 1H), 3.84 (s, 3H), 2.82 (t, J = 6.7 Hz, 2H), 1.85 (t, J = 6.6 Hz, 2H), 1.34 (s, 6H); APCI-MS m/z: 513 [M + H] + ; Anal. calcd. for C25H22O8S2. 2H2O: C, 58.36; H, 4.31. Found: C, 58.37; H, 4.32.
  • 9
  • [ 16629-19-9 ]
  • [ 4771-49-7 ]
  • 6-methyl-1-(2-thienylsulfonyl)-indole-3-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
76.04% With dmap; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 5℃; for 2h; Add III-3 (0.80g, 5.03mmol), DMAP (129mg, 1.06mmol), DIEA (2.50mL, 15.08mmol) to 100mL three-necked flask, stir and dissolve with 10mL acetonitrile, slowly add at 05C Thiazol-2-sulfonyl chloride (IV-2, 1.10g, 6.04mmol) in 10mL acetonitrile solution, after the addition is completed, stirring is continued for 2 hours under low temperature conditions.TLC monitoring of raw material reactionsCompletely, concentrate the reaction solution, dissolve it with 30 mL of ethyl acetate, wash with 40 mL of water, and extract twice with ethyl acetate (20 mL×2)The organic phase is washed with a saturated sodium chloride solution and dried over anhydrous sodium sulfate; filtered, filtered, and then filtered and evaporated.After drying, 1.46gBrownish yellow solidV-3,The yield was 76.04%.
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