23434-96-0

Basic information

• Product Name: methyl 4-chloro-3-phenylalaninate
• Synonyms: methyl 4-chloro-3-phenylalaninate;4-chlorophenylalanine methyl ester;2-Amino-3-(4-chlorophenyl)propionic acid methyl ester;3-(4-Chlorophenyl)-2-aminopropanoic acid methyl ester;3-(4-Chlorophenyl)-2-aminopropionic acid methyl ester;α-Amino-4-chlorobenzenepropanoic acid methyl ester;methyl 2-amino-3-(4-chlorophenyl)propanoate
• CAS NO: 23434-96-0
• Molecular Formula: C₁₀H₁₂ClNO₂
• Molecular Weight: 213.66078
• EINECS: 245-661-8
• Mol File: 23434-96-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 296.3°Cat760mmHg
• Flash Point: 133°C
• Appearance: /
• Density: g/cm³
• PKA: 6.95±0.33(Predicted)
• CAS DataBase Reference: methyl 4-chloro-3-phenylalaninate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-chloro-3-phenylalaninate(23434-96-0)
• EPA Substance Registry System: methyl 4-chloro-3-phenylalaninate(23434-96-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 23434-96-0(Hazardous Substances Data)

Usage

General Description

Methyl 4-chloro-3-phenylalaninate is a chemical compound commonly used in scientific research purposes. While limited information is available regarding this specific compound, its structure suggests it is related to phenylalanine, an essential amino acid crucial for building proteins in the body. The terms 'methyl' and '4-chloro' represent additional chemical groups attached to the main phenylalanine molecule, possibly altering its properties. As with many substances used in a lab setting, it should be handled with care, protected from moisture and stored at room temperature. Potential toxicity and reactivity, along with other specific properties, would likely differ based on usage and the presence of other compounds.

InChI:InChI=1/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3

Upstream product

• 53101-00-1 methyl 3-(4-chlorophenyl)-2-oxopropanoate 
• 131469-72-2 methyl 3-acetoxy-3-(4-chlorophenyl)-2-methylenepropanoate 
• 104-88-1 4-chlorobenzaldehyde 
• 131469-67-5 methyl 2-[1-hydroxy-1-(4-chlorophenyl)methyl]acrylate 
• 67-56-1 methanol 
• 7424-00-2 DL-Phe(4Cl) 
• 673-41-6 p-chlorobenzenediazonium tetrafluoroborate 
• 1332883-27-8 (E)-methyl 3-(4-chlorophenyl)-2-(hydroxyimino)propanoate 

Downstream Products

• 859995-83-8 4-chloro-N-nicotinoyl-DL-phenylalanin-amide 
• 605680-75-9 ethyl 3-(4-chlorophenyl)-2-pyrrolidin-N-yl-propanoate 
• 605680-66-8 methyl 2-diazo-3(4-chlorophenyl)propanoate 
• 182492-20-2 N-tert-butyloxycarbonyl-N-methyl-4-chlorophenylalanine methyl ester 
• 182492-19-9 2-(N-tert-butyloxycarbonyl-N-methyl)-amino-3-(4-chlorophenyl)-propionaldehyde 
• 123795-34-6 2-tert-butoxycarbonylamino-3-(4-chloro-phenyl)-propionic acid methyl ester 

Relevant articles and documents

Identification of inhibitors of UDP-galactopyranose mutaseviacombinatorialin situscreening

Anin situscreening assay for UDP-galactopyranose mutase (UGM, an essential enzyme ofM. tuberculosiscell wall biosynthesis) has been developed to discover novel UGM inhibitors. The approach is based on the amide-forming reaction of an amino acid core with various cinnamic acids, followed by a direct fluorescence polarization assay to identify the best UGM binders without isolation and purification of the screened ligands. This assay allows us to perform one-pot high-throughput synthesis and screening of enzyme inhibitors in a 384-well plate format. UGM ligands were successfully identified by this technology and their inhibition levels were established from pure synthetic compoundsin vitroand in a whole cell antibacterial assay. This study provides a blueprint for designing enamide structures as new UGM inhibitors and anti-mycobacterial agents.

A versatile approach to noncoded β-hydroxy-α-amino esters and α-amino acids/esters from morita-baylis-hillman adducts

A simple and straightforward approach to the diastereoselective synthesis of noncoded β-hydroxy-α-amino esters from Morita-Baylis-Hillman (MBH) adducts is described. The strategy is based on a one-pot sequence involving an oxidative cleavage of the double bond of silylated Morita-Baylis-Hillman adducts, followed by the reaction with hydroxylamine hydrochloride/pyridine to form oximes. The stereoselective reduction of the oximes with the mixture MoCl5·nH2O/NaBH3CN led to the corresponding anti-β-hydroxy-α-amino esters in four steps in good overall yield and with diastereoselectivity higher than 95%. A slight modification of the synthetic approach has allowed for the racemic synthesis of a set of noncoded α-amino esters/acids and DOPA