91103-47-8

Basic information

• Product Name: BOC-D-ALA-OME
• Synonyms: BOC-D-ALA-OME;BOC-D-ALANINE METHYL ESTER;N-(TERT-BUTOXYCARBONYL)-D-ALANINE METHYL ESTER;N-ALPHA-T-BUTOXYCARBONYL-D-ALANINE METHYL ESTER;Boc-D-alanine methyl ester, N-(tert-Butoxycarbonyl)-D-alanine methyl ester;(R)-methyl 2-(tert-butoxycarbonylamino)propanoate;N-(tert-Butoxycarbon;D-2-tert-butoxycarbonylaMino-propionic acid Methyl ester
• CAS NO: 91103-47-8
• Molecular Formula: C₉H₁₇NO₄
• Molecular Weight: 203.24
• EINECS: 1533716-785-6
• Mol File: 91103-47-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 34-37 °C(lit.)
• Boiling Point: 341.54°C (rough estimate)
• Flash Point: >230 °F
• Appearance: White/Powder
• Density: 1.03 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00443mmHg at 25°C
• Refractive Index: 1.4315 (estimate)
• Storage Temp.: 2-8°C
• PKA: 11.21±0.46(Predicted)
• BRN: 4310313
• CAS DataBase Reference: BOC-D-ALA-OME(CAS DataBase Reference)
• NIST Chemistry Reference: BOC-D-ALA-OME(91103-47-8)
• EPA Substance Registry System: BOC-D-ALA-OME(91103-47-8)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 91103-47-8(Hazardous Substances Data)

Usage

Chemical Properties

White powder

InChI:InChI=1/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1

Upstream product

• 112392-66-2 methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate 

Downstream Products

• 186466-64-8 ((R)-2-hydroxy-1,2-dimethyl-propyl)-carbamic acid tert-butyl ester 
• 100927-10-4 tert-butyl N-[(1R)-2-amino-1-methyl-ethyl]carbamate 
• 268553-44-2 tert-butyl (R)-(1-amino-1-thioxopropan-2-yl)carbamate 
• 1158971-60-8 1,1-dimethylethyl [(1R)-2,2-bis(4-fluorophenyl)-2-hydroxy-1-methylethyl]carbamate 
• 1011302-72-9 2S,2R-3-[2-(2-tert-butoxycarbonylamino-2-methoxycarbonylethyl)-phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid benzyl ester 
• 114684-45-6 (R)-2-[Benzyloxycarbonyl-((R)-2-tert-butoxycarbonylamino-propyl)-amino]-propionic acid benzyl ester 
• 114684-44-5 (R)-2-((R)-2-tert-Butoxycarbonylamino-propylamino)-propionic acid benzyl ester 
• 120881-97-2 ((R)-1-Methyl-2-oxo-but-3-enyl)-carbamic acid tert-butyl ester 
• 716329-44-1 (R)-tert-butyl (1-(1,3,4-oxadiazol-2-yl)ethyl)carbamate 
• 41863-52-9 D-(1-hydrazinocarbonyl-ethyl)-carbamic acid tert-butyl ester 
• 223906-32-9 (2R)-N-Boc-2-amino-1,1-diphenylpropanol 
• 82353-56-8 (2R)-2-N-t-butoxycarbonyl-aminopropanal 
• 79069-13-9 (R)-2-tertbutoxycarbonylamino-1-propanol 
• 112392-61-7 ((R)-3-tert-Butoxycarbonylamino-2-oxo-butyl)-phosphonic acid benzyl ester methyl ester 

Relevant articles and documents

Biocatalytic resolution of Boc-dl-alanine methyl ester by a newly isolated Bacillus amyloliquefaciens WZZ002

A new esterase-producing strain (Bacillus amyloliquefaciens WZZ002) that exhibits high hydrolytic activity, excellent enantioselectivity, and high substrate tolerance on Boc-dl-Alanine methyl ester was isolated from soil samples. The reaction temperature, pH, and neutralizer optima of the cell-mediated biocatalysis were 35 °C, pH 8.0, and NH3·H2O, respectively. The optimal substrate concentration was 2 M, with a biocatalyst loading of 50 g/L. Results showed that the enantiomeric excess values of substrate and product were both greater than 99%. Thus, bioprocessing with the use of the isolated strain is a promising route for the commercial production of Boc-d-Ala-OMe.