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. 2592-18-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2592-18-9
Chemical Structure| 2592-18-9
Structure of 2592-18-9 * 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 [ 2592-18-9 ]

Related Doc. of [ 2592-18-9 ]

Alternatived Products of [ 2592-18-9 ]
Product Citations

Product Details of [ 2592-18-9 ]

CAS No. :2592-18-9 MDL No. :MFCD00065946
Formula : C9H17NO5 Boiling Point : -
Linear Structure Formula :C5H9O2NHCH(C2H5O)COOH InChI Key :LLHOYOCAAURYRL-RITPCOANSA-N
M.W : 219.24 Pubchem ID :2724766
Synonyms :
Chemical Name :(2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid

Calculated chemistry of [ 2592-18-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.78
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 52.82
TPSA : 95.86 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.51
Log Po/w (XLOGP3) : 0.31
Log Po/w (WLOGP) : 0.35
Log Po/w (MLOGP) : 0.01
Log Po/w (SILICOS-IT) : -0.46
Consensus Log Po/w : 0.34

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.0
Solubility : 22.0 mg/ml ; 0.1 mol/l
Class : Very soluble
Log S (Ali) : -1.89
Solubility : 2.85 mg/ml ; 0.013 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.12
Solubility : 166.0 mg/ml ; 0.755 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.01

Safety of [ 2592-18-9 ]

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

Application In Synthesis of [ 2592-18-9 ]

* 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 [ 2592-18-9 ]

[ 2592-18-9 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 24498-31-5 ]
  • [ 2592-18-9 ]
  • [ 23010-46-0 ]
  • 2
  • [ 69739-34-0 ]
  • [ 2592-18-9 ]
  • [ 308279-72-3 ]
YieldReaction ConditionsOperation in experiment
78% Example 1: Synthesis of Compound of Formula IIIQH O 1. TBSOTf, Et3N TBSO OX U CH2Cl2, 0°C, 2h ^I O. 2. K2CO3, MeOH/H2O iNHBoc 2 h, 23°C, 78percent NHBoc 3. PhSH, DCC, HOBtCompound Al EtOAc, 23°C, 12h Compound A2 69percent yield; >;99.9percent eeN-Boc-L-allo-threonine (Compound Al; synthesized from L-allo-threonine purchased from Fluka Chemical Corp.; Milwaukee, WI) was protected with TBS using te/t-butyldimethylsilyl triflate (TBSOTf) and then treated with thiophenol (PhSH), JV,jV-dicyclohexylcarbodiimide (DCC), and 1-hydroxybenzotriazole (HOBt) in ethyl acetate (EtOAc) to form (2S,3S)-S-phenyl 2-(te/t-butoxycarbonylamino)-3- (tetaut-butyldimethylsilyloxy)butanethioate (Compound A2). Compound A2 was formed in 69percent yield and an enantiomeric excess (ee) of >;99.9percent.
  • 3
  • [ 2592-18-9 ]
  • (S)-allylglycine methyl ester hydrochloride [ No CAS ]
  • N-tert-butoxycarbonyl-(2S,3S)-threonyl-(S)-allylglycine methyl ester [ No CAS ]
  • 4
  • [ 2592-18-9 ]
  • [ 2462-32-0 ]
  • [ 437631-41-9 ]
  • 5
  • [ 2592-18-9 ]
  • [ 42854-62-6 ]
  • [ 947189-54-0 ]
  • 9
  • [ 2592-18-9 ]
  • [ 68176-57-8 ]
  • [ 1449475-30-2 ]
YieldReaction ConditionsOperation in experiment
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In 1,4-dioxane; at 20 - 100℃; for 18h; Example 78 Step 1 To a stirred solution of 4-ieri-butyl-1 ,2-diaminobenzene (375mg, 2.28mmol) in dioxane (4 mL) was added a solution of N-Boc-L-threonine (500 mg, 2.28 mmol) in dioxane (4 mL) followed by triethylamine (636 pL, 456 mmol) and T3P (1520 mg, 2.40 mmol). The reaction was stirred at room temperature for 10 minutes followed by heating to 100°C for 18 hours. The reaction was cooled and diluted with EtOAc (50 mL) and saturated aqueous sodium bicarbonate solution (40 mL). The organic layer was collected, washed with brine, dried over MgSO4 and concentrated in vacuo. The residue was purified using silica gel column chromatography eluting with 15-100percent TBME in heptanes to afford terf-butyl [(1 R,2R)-1 -(5-terf-butyl-1 H-benzimidazol-2-yl)-2- hydroxypropyl]carbamate. Step 2 To ferf-butyl [(1 R,2R)-1 -(5-terf-butyl-1 H-benzimidazol-2-yl)-2-hydroxypropyl]- carbamate (105 mg, 0.302 mmol) was added DCM (5 mL) followed by TFA (700 pL) at 0°C. The reaction was allowed to warm to room temperature for 4 hours before cooling back to 0°C and quenching with saturated aqueous NaHCO3 solution (20 mL). The mixture was extracted with DCM, the organic layer collected, dried over MgSO and concentrated in vacuo. The residue was purified using silica gel column chromatography eluting with DCM:MeOH:NH3 (80:20:2) to afford the title compound (21 mg, 28percent). 1H NMR (400MHz, CDCI3): delta ppm 1 .20 (s, 3H), 1 .35 (s, 9H), 4.00 (m, 1 H), 4.37 (m, 1 H), 7.25 (m, 1 H), 7.42 (m, 1 H), 7.50 (m, 1 H). LCMS (2 minute run) Rt = 1 .02 minutes MS m/z 246 [M-H]~
  • 10
  • [ 2592-18-9 ]
  • [ 68176-57-8 ]
  • [ 1449475-45-9 ]
YieldReaction ConditionsOperation in experiment
89 g Preparation 24 tert-Butyl f(1 R,2S)-1 -(5-fe/t-butyl-1 H-benzimidazol-2-yl)-2-hvdroxypropyHcarbamate N-Boc-L-allo-threonine (Preparation 54, 67.12 g, 306 mmol), 4-terf-butyl- diaminobenzene (60.3 g, 367 mmol) and HOBt (56.3 g, 367 mmol) were dissolved in DMF (500 mL). NMM (67 mL, 612 mmol) was added and the mixture cooled to 0°C. EDCI (65.6 g, 336 mmol) was added portionwise over 1 .5 hours and the reaction was stirred at room temperature for 18 hours. EtOAc (2 L) was added followed by water (1 L) and the mixture stirred vigorously for 15 minutes. The aqueous layer was removed and washed further with EtOAc (2 x 30 mL). The organic layers were combined, dried over Na2SO and concentrated in vacuo. The residue was sonicated in pentane/DCM 10/1 twice and filtered to afford a pale pink solid that was dissolved in AcOH (500 mL) and stirred at 40°C for 24 hours followed by room temperature for 2 days. The solvent was removed in vacuo and the residue dissolved in EtOAc (1 .5 L). Saturated aqueous NaHCO3 (500 mL) was added and the mixture stirred vigorously. The organic layer was collected, washed with NaHCO3 solution (2 x 200 mL), dried over Na2SO and concentrated in vacuo. The residue was dissolved in DCM (500 mL) and purified using silica gel column chromatography eluting with 0-20percent acetone in cyclohexaneto afford the title compound as an off-white solid (89 g, quant). 1H NMR (400MHz, MeOD): delta ppm 1 .17 (d, 3H), 1 .40 (s, 9H), 1 .43 (s, 9H), 4.17 (m, 1 H), 4.80 (m, 1 H), 7.30 (m, 1 H), 7.45 (m, 1 H), 7.55 (m, 1 H). LCMS Rt = 1 .87 minutes MS m/z 348 [M+H]+
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 2592-18-9 ]

Amino Acid Derivatives

Chemical Structure| 55674-67-4

[ 55674-67-4 ]

(2R,3S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid

Similarity: 1.00

Chemical Structure| 23082-30-6

[ 23082-30-6 ]

(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid

Similarity: 1.00

Chemical Structure| 102507-13-1

[ 102507-13-1 ]

(S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-methylbutanoic acid

Similarity: 0.96

Chemical Structure| 48068-25-3

[ 48068-25-3 ]

(2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-methoxybutanoic acid

Similarity: 0.96

Chemical Structure| 288159-40-0

[ 288159-40-0 ]

(R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-methylbutanoic acid

Similarity: 0.96

; ;