96613-91-1

Basic information

• Product Name: Benzenebutanoic acid, a-(acetylamino)-, (S)-
• CAS NO: 96613-91-1
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.256
• Mol File: 96613-91-1.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: Benzenebutanoic acid, a-(acetylamino)-, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, a-(acetylamino)-, (S)-(96613-91-1)
• EPA Substance Registry System: Benzenebutanoic acid, a-(acetylamino)-, (S)-(96613-91-1)

Safety Data

• Hazardous Substances Data: 96613-91-1(Hazardous Substances Data)

Upstream product

• 141289-30-7 N-acetyl-DL-homophenylalanine ethyl ester 
• 1012-05-1 D,L-homophenylalanine 
• 768-56-9 4-Phenylbut-1-ene 
• 124888-60-4 4-phenylbutane-1,2-diol 
• 710-11-2 2-oxo-4-phenylbutyric acid 
• 4263-93-8 2-hydroxy-4-phenylbutanoic acid 
• 36061-01-5 (+/-)-N-acetylhomophenylalanine methyl ester 
• 82795-51-5 D-homophenylalanine 
• 5440-40-4 2-(acetylamino)-4-phenylbutanoic acid 
• 133832-73-2 (E)-3-Acetamido-1,2,3-tridesoxy-1-phenyl-D-gluco-hept-1-enitol 
• 133906-41-9 (E)-3-Amino-3,4-N,O-carbonyl-1,2,3-tridesoxy-1-phenyl-D-gluco-hept-1-enitol 
• 1100-88-5 benzyltriphenylphosphonium chloride 
• 7512-17-6 N-Acetyl-D-glucosamine 
• 103-63-9 1-phenyl-2-bromoethane 

Downstream Products

• 105382-09-0 L-(+)-homophenylalanine hydrochloride 
• 82795-51-5 D-homophenylalanine 
• 253327-94-5 (S)-2-acetamido-4-phenylbutyric acid ethyl ester 
• 117560-24-4 p-tolylsulfonic caid salt of D-homophenylalanine benzyl ester 
• 27038-09-1 (2S)-2-amino-4-phenyl-1-butanol 
• 60425-49-2 (+)-α-amino-4-phenylbutyric acid methyl ester hydrochloride 
• 943-73-7 D-homophenylalanine 

Relevant articles and documents

Direct Synthesis of Free α-Amino Acids by Telescoping Three-Step Process from 1,2-Diols

A practical telescoping three-step process for the syntheses of α-amino acids from the corresponding 1,2-diols has been developed. This process enables the direct synthesis of free α-amino acids without any protection/deprotection step. This method was also effective for the preparation of a 15N-labeled α-amino acid. 1,2-Diols bearing α,β-unsaturated ester moieties afforded bicyclic α-amino acids through intramolecular [3 + 2] cycloadditions. A preliminary study suggests that the resultant α-amino acids are resolvable by aminoacylases with almost complete selectivity.

Resolution of N-protected amino acid esters using whole cells of Candida parapsilosis ATCC 7330

Whole cells of Candida parapsilosis ATCC 7330 were used for the resolution of N-acetyl amino acid esters. Excellent enantioselectivities (E = 40 to >500) were achieved for the resolution of N-protected protein and non-protein amino acid esters giving good yields (28-50%) and high enantiomeric excesses (up to >99%) for both enantiomers.

Concise synthesis and enzymatic resolution of L-(+)-homophenylalanine hydrochloride

The N-acetyl-homophenylalanine ethyl ester was synthesized by a simple three-step-reaction strategy. L-(+)-homophenylalanine hydrochloride with 98% ee was obtained through a kinetic resolution process using industrial enzyme alcalase. Compared with other