天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 38533-61-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 38533-61-8
Chemical Structure| 38533-61-8
Structure of 38533-61-8 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 38533-61-8 ]

Related Doc. of [ 38533-61-8 ]

Alternatived Products of [ 38533-61-8 ]
Product Citations

Product Details of [ 38533-61-8 ]

CAS No. :38533-61-8 MDL No. :MFCD00130268
Formula : C6H5ClN2O3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :DVRGUTNVDGIKTP-UHFFFAOYSA-N
M.W : 188.57 Pubchem ID :2795029
Synonyms :

Calculated chemistry of [ 38533-61-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.56
TPSA : 67.94 ?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) : -6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.47
Log Po/w (XLOGP3) : 1.95
Log Po/w (WLOGP) : 1.65
Log Po/w (MLOGP) : 0.06
Log Po/w (SILICOS-IT) : -0.13
Consensus Log Po/w : 1.0

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.48
Solubility : 0.631 mg/ml ; 0.00334 mol/l
Class : Soluble
Log S (Ali) : -3.0
Solubility : 0.188 mg/ml ; 0.000997 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.15
Solubility : 1.33 mg/ml ; 0.00705 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 38533-61-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 38533-61-8 ]

* 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 [ 38533-61-8 ]

[ 38533-61-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 3325-11-9 ]
  • [ 38533-61-8 ]
  • N-(6-methoxy-3-nitropyridin-2-yl)-1H-benzo[d][1,2,3]triazol-5-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
61% With trimethylamine; In methanol; at 120℃; for 24h; 2-Chloro-6-methoxy-3-nitropyridine (0.13 g, 0.69 mmol)5-Amino-1H-benzotriazole (0.09 g, 0.69 mmol) and triethylamine (0.11 mL, 0.76 mmol) were dissolved in methanol and the mixture was stirred at 120 ° C for 24 hours. After cooling in the atmosphere, water was added slowly and stirred for 30 minutes. The resulting solid product was filtered off, washed with methanol and dried to give compound 5e (61percent yield).
  • 2
  • [ 109-11-5 ]
  • [ 38533-61-8 ]
  • 4-(6-methoxy-3-nitropyridin-2-yl)morpholin-3-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100℃; for 2h;Inert atmosphere; A mixture of 2-chloro-6-methoxy-3-nitropyridine (1.89 g, 10 mmol), <strong>[109-11-5]morpholin-3-one</strong> (1.01 g, 10 mmol), Xantphos (578 mg, 1.0 mmol), Pd2(dba)3 (457 mg, 0.5 mmol), Cs2CO3 (6.5 g, 20 mmol), in 1,4-dioxane (50 mL) was stirred under nitrogen at 100 C for 2h. The mixture was then cooled to room temperature and filtered through Celite. The filtrate was concentrated and purified by flash chromatography (3:1 petroleum ether:ethyl acetate) to afford 4-(6- methoxy-3-nitropyridin-2-yl)<strong>[109-11-5]morpholin-3-one</strong> (1.2 g, yield 47%) as a yellow solid. LCMS (ESI) [M+H] = 254.2.
  • 3
  • [ 38533-61-8 ]
  • [ 14752-66-0 ]
  • 2-((4-chlorophenyl)sulfonyl)-6-methoxy-3-nitropyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
81.21% With hydrogenchloride; tetrabutyl-ammonium chloride; In N,N-dimethyl acetamide; water; at 80℃; for 1h; To a stirred solution of 6-methoxy-2-chloro-3-nitro pyridine(1 ; 5.0 g, 26.596 mmol) in dimethyl acetamide (75ml_) was added sodium 4-chlorobenzene-sulphinate (2;7.92g, 39.894 mmol) and tetra-N-butylammonium chloride (2.22g, 7.979 mmol) and Cone HCI 0.75 ml at room temperature. The reaction mixture was stirred at 80C for 1 hour. Progress of reaction was monitored by LCMS. The whole reaction mixture was poured on crushed ice to get solid. This solid compound was filtered through sintered funnel and thoroughly dried under vacuum to isolate 2-((4-Chlorophenyl)sulfonyl)-6-methoxy- 3-nitropyridine as desired product (7.1 g, 81.21 %). 1H NMR (400 MHz, CDCI3) d 8.10 (d, J= 8.6 Hz, 1 H), 8.0 (d, J= 7.9 Hz, 2H), 7.56 (d, J= 7.9 Hz, 2H), 6.95 (d, J= 8.7 Hz, (1079) 1 H), 3.69 (s, 3H). LCMS [m/z (M+H)+ =(Calculated for C12H9N205SCI+H: 329) found: 329], Purity at l=220hht 98.73%
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 38533-61-8 ]

Chlorides

Chemical Structure| 34392-85-3

[ 34392-85-3 ]

3-Amino-2-chloro-6-methoxypyridine

Similarity: 0.81

Chemical Structure| 5470-18-8

[ 5470-18-8 ]

2-Chloro-3-nitropyridine

Similarity: 0.78

Chemical Structure| 1003711-55-4

[ 1003711-55-4 ]

2-Chloro-5-methoxy-3-nitropyridine

Similarity: 0.76

Chemical Structure| 23056-39-5

[ 23056-39-5 ]

2-Chloro-4-methyl-3-nitropyridine

Similarity: 0.74

Chemical Structure| 23056-40-8

[ 23056-40-8 ]

2-Chloro-5-methyl-3-nitropyridine

Similarity: 0.73

Ethers

Chemical Structure| 34392-85-3

[ 34392-85-3 ]

3-Amino-2-chloro-6-methoxypyridine

Similarity: 0.81

Chemical Structure| 1003711-55-4

[ 1003711-55-4 ]

2-Chloro-5-methoxy-3-nitropyridine

Similarity: 0.76

Chemical Structure| 6980-09-2

[ 6980-09-2 ]

2-Chloro-4-methoxy-3-nitropyridine

Similarity: 0.73

Chemical Structure| 6635-90-1

[ 6635-90-1 ]

2-Methoxy-4-methyl-5-nitropyridine

Similarity: 0.73

Chemical Structure| 52854-14-5

[ 52854-14-5 ]

4-Chloro-6-methoxy-5-nitropyrimidine

Similarity: 0.70

Nitroes

Chemical Structure| 5470-18-8

[ 5470-18-8 ]

2-Chloro-3-nitropyridine

Similarity: 0.78

Chemical Structure| 1003711-55-4

[ 1003711-55-4 ]

2-Chloro-5-methoxy-3-nitropyridine

Similarity: 0.76

Chemical Structure| 23056-39-5

[ 23056-39-5 ]

2-Chloro-4-methyl-3-nitropyridine

Similarity: 0.74

Chemical Structure| 23056-40-8

[ 23056-40-8 ]

2-Chloro-5-methyl-3-nitropyridine

Similarity: 0.73

Chemical Structure| 6980-09-2

[ 6980-09-2 ]

2-Chloro-4-methoxy-3-nitropyridine

Similarity: 0.73

Related Parent Nucleus of
[ 38533-61-8 ]

Pyridines

Chemical Structure| 34392-85-3

[ 34392-85-3 ]

3-Amino-2-chloro-6-methoxypyridine

Similarity: 0.81

Chemical Structure| 5470-18-8

[ 5470-18-8 ]

2-Chloro-3-nitropyridine

Similarity: 0.78

Chemical Structure| 1003711-55-4

[ 1003711-55-4 ]

2-Chloro-5-methoxy-3-nitropyridine

Similarity: 0.76

Chemical Structure| 23056-39-5

[ 23056-39-5 ]

2-Chloro-4-methyl-3-nitropyridine

Similarity: 0.74

Chemical Structure| 23056-40-8

[ 23056-40-8 ]

2-Chloro-5-methyl-3-nitropyridine

Similarity: 0.73

; ;