33646-32-1

Basic information

• Product Name: methyl N-benzoyl-3-chloroalaninate
• Synonyms: alanine, N-benzoyl-3-chloro-, methyl ester; Methyl N-benzoyl-3-chloroalaninate
• CAS NO: 33646-32-1
• Molecular Formula: C₁₁H₁₂ClNO₃
• Molecular Weight: 241.6709
• Mol File: 33646-32-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 427.6°C at 760 mmHg
• Flash Point: 212.4°C
• Density: 1.242g/cm³
• Vapor Pressure: 1.61E-07mmHg at 25°C
• Refractive Index: 1.532
• CAS DataBase Reference: methyl N-benzoyl-3-chloroalaninate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl N-benzoyl-3-chloroalaninate(33646-32-1)
• EPA Substance Registry System: methyl N-benzoyl-3-chloroalaninate(33646-32-1)

Safety Data

• Hazardous Substances Data: 33646-32-1(Hazardous Substances Data)

Upstream product

• 302-84-1 serin 
• 7244-67-9 methyl N-benzoylalaninate 
• 98-88-4 benzoyl chloride 
• 56410-68-5 3-chloro-DL-alanine methyl ester 

Downstream Products

• 617-65-2 Glutamic acid 
• 20911-96-0 2-Benzoylamino-heptanoic acid methyl ester 
• 101650-24-2 N-(2-Oxo-1-pentyl-hexyl)-benzamide 
• 87974-95-6 2,4-Bis-benzoylamino-2-pentyl-pentanedioic acid dimethyl ester 
• 77422-37-8 methyl N-allyl-2-benzamidopropenoate 
• 219561-18-9 2-[Benzoyl-(2-ethoxycarbonyl-allyl)-amino]-acrylic acid methyl ester 
• 1196976-71-2 methyl 2-benzoyl-4-fluoro-2-azabicyclo[2.1.1]hexane-1-carboxylate 
• 1196976-70-1 methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]acrylate 
• 77422-38-9 methyl N-benzoyl-1-azabictclo<2.3.1>hexane-5-carboxylate 
• 24153-31-9 2-benzoylaminoacrylic acid methyl ester 
• 87974-93-4 3-Benzamido-2-pentanon 
• 101650-23-1 N-(4-oxononan-5-yl)benzamide 
• 87974-94-5 2,4-Bis-benzoylamino-2-butyl-pentanedioic acid dimethyl ester 
• 101823-13-6 methyl 2-(benzoylamino)hexanoate 

Relevant articles and documents

NOVEL 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

The invention provides novel compounds having the general formula: wherein R1, R2, R3 and R4 are as defined in the description and in the claims, as well as or pharmaceutically acceptable salts, or tautomerism isomers, or enantiomers, or diastereomers thereof. The invention also contains compositions including the compounds and methods of using the compounds.

REGIOSELECTIVE CHLORINATION OF VALINE DERIVATIVES

Reaction of N-benzoylvaline methyl ester (5a) with sulphuryl chloride gave the β-chlorovaline derivative (6a) and lesser amounts of diastereoisomers of the γ-chlorovaline derivative (7a).A similar mixture of products was obtained throuch photolysis of the N-chloroamide (13).The reactions of the valine derivatives (5a) and (13) involve regioselective intermolecular transfer of the β-valinyl hydrogen.There is no evidence for reaction at the α-position.The β-chloroalanine derivative (23) was produced through reaction of N-benzoylalanine methyl ester (17a) with sulphuryl chloride and by photolysis of the N-chloroamide (22).Chlorination of the azetidinone (16a) gave (16b) in modest yield.These reactions establish the chemical validity of a regiospecific hydrogen-atom abstraction proposed in penicillin biosynthesis.