2-[(4-chlorobenzoyl)amino]propanoic Acid

Base Information

• Chemical Name: 2-[(4-chlorobenzoyl)amino]propanoic Acid
• CAS No.: 108462-95-9
• Molecular Formula: C10H10ClNO3
• Molecular Weight: 227.647
• DSSTox Substance ID: DTXSID20369540
• Nikkaji Number: J2.431.369G
• Mol file: 108462-95-9.mol

Synonyms:108462-95-9;2-[(4-chlorobenzoyl)amino]propanoic Acid;DL-Alanine, N-(4-chlorobenzoyl)-;2-[(4-chlorophenyl)formamido]propanoic acid;2-(4-Chlorobenzamido)propanoic acid;2-(4-Chloro-benzoylamino)-propionic acid;Oprea1_013908;SCHEMBL2172294;DTXSID20369540;SSHYAHPMLSAGGG-UHFFFAOYSA-N;2-(4-Chlorobenzamido)propanoicacid;MFCD00220131;AKOS000114599;AKOS016050945;2-(4-Chlorobenzoylamino)propanoic acid;7L-326S;CCG-248068;CS-0218119;EN300-00185;Z57229047;2-[(4-ChlorobenZoyl)amino]propanoic acid (BZ(4-Cl)-DL-Ala-OH)

Chemical Property of 2-[(4-chlorobenzoyl)amino]propanoic Acid

Chemical Property:

• PSA: 66.40000
• LogP: 1.93380
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.0349209
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-Chlorophenyl)formamido]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl

Technology Process of 2-[(4-chlorobenzoyl)amino]propanoic Acid

There total 4 articles about 2-[(4-chlorobenzoyl)amino]propanoic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

L-alanin (56-41-7,25191-17-7,18875-37-1) + 4-chloro-benzoyl chloride (122-01-0) → rac-2-(4-chlorobenzamido)propanoic acid (108462-95-9)

Guidance literature:

L-alanin; 4-chloro-benzoyl chloride; With potassium hydroxide; In water; at 20 ℃; for 16h;

With hydrogenchloride; In water; at 0 ℃; pH=2;

Reference yield: 63.0%

rac-ethyl 2-(4-chlorobenzamido)propanoate (128062-24-8) → rac-2-(4-chlorobenzamido)propanoic acid (108462-95-9)

Guidance literature:

rac-ethyl 2-(4-chlorobenzamido)propanoate; With sodium hydroxide; In methanol; water; at 20 ℃; for 18h;

With hydrogenchloride; In methanol; water; at 0 ℃; pH=0 - 1;

DOI:10.1002/chem.201202455

Reference yield:

4-chloro-benzoyl chloride (122-01-0) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → rac-2-(4-chlorobenzamido)propanoic acid (108462-95-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo50012a014

upstream raw materials:

4-chloro-benzoyl chloride

rac-Ala-OH

L-alanin

rac-ethyl 2-(4-chlorobenzamido)propanoate

Downstream raw materials:

4-Chloro-N-(1-cyclohexyl-3,4-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyridin-3-yl)-benzamide

D,L-N-(3-Methoxy propyl)-N-pentyl-2-(4-chlorobenzoyl amino)-propionamide

rac-2-(4-chlorophenyl)-4-methyloxazol-5(4H)-one

methyl 2-(4-chlorophenyl)-4-methyloxazole-5-carboxylate

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