4-(4-Chloro-benzoylamino)-butyric acid

Base Information

• Chemical Name: 4-(4-Chloro-benzoylamino)-butyric acid
• CAS No.: 71455-51-1
• Molecular Formula: C11H12ClNO3
• Molecular Weight: 241.674
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00367120
• Wikidata: Q82152751
• Mol file: 71455-51-1.mol

Synonyms:71455-51-1;4-(4-Chloro-benzoylamino)-butyric acid;4-[(4-chlorobenzoyl)amino]butanoic Acid;4-[(4-chlorophenyl)formamido]butanoic acid;Butanoic acid,4-[(4-chlorobenzoyl)amino]-;Cambridge id 5361641;SCHEMBL11321936;DTXSID00367120;OWNIULYDSMYROG-UHFFFAOYSA-N;4-(4-Chlorobenzamido)butanoicacid;4-(4-Chlorobenzamido)butanoic acid;MFCD00454793;STL261778;4-(4-chlorobenzoylamino)butyric acid;AKOS000114601;CCG-296592;N-(p-chlorobenzoyl)-4-aminobutyric acid;CS-0218121;4-(4-CHLORO-BENZOYLAMINO)-BUTYRICACID;EN300-00187;4-{[(4-chlorophenyl)carbonyl]amino}butanoic acid;AG-205/06010062;SR-01000207055;SR-01000207055-1;Z56840110

Chemical Property of 4-(4-Chloro-benzoylamino)-butyric acid

Chemical Property:

• Vapor Pressure: 4.2E-10mmHg at 25°C
• Boiling Point: 482 °C at 760 mmHg
• Flash Point: 245.3 °C
• PSA: 66.40000
• Density: 1.3 g/cm³
• LogP: 2.32550
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.0505709
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

4-(4-CHLORO-BENZOYLAMINO)-BUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NCCCC(=O)O)Cl

Technology Process of 4-(4-Chloro-benzoylamino)-butyric acid

There total 2 articles about 4-(4-Chloro-benzoylamino)-butyric 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:

D-glucose (50-99-7) + para-chlorobenzoic acid (74-11-3) → N-(p-chloro)benzoyl-4-aminobutyric acid (71455-51-1) + C18H17Cl2NO3 + C16H23ClO3 + para-Chlorobenzyl alcohol (873-76-7)

Guidance literature:

With ferrous(II) sulfate heptahydrate; sodium nitrate; potassium dihydrogenphosphate; magnesium sulfate heptahydrate; potassium chloride; Enzymatic reaction;

DOI:10.1016/j.molcatb.2015.01.001

Reference yield:

4-chloro-benzoyl chloride (122-01-0) + 4-amino-n-butyric acid (56-12-2) → N-(p-chloro)benzoyl-4-aminobutyric acid (71455-51-1)

Guidance literature:

With sodium hydroxide; In dichloromethane; water;

Reference yield:

N-(p-chloro)benzoyl-4-aminobutyric acid (71455-51-1) → N-[N-(p-chlorobenzoyl)-4-aminobutyryl]-L-proline

Guidance literature:

With potassium hydroxide; In ethanol;

upstream raw materials:

4-chloro-benzoyl chloride

4-amino-n-butyric acid

D-glucose

para-chlorobenzoic acid

Downstream raw materials:

N-(p-chlorobenzoyl)-4-benzylaminobutyric acid

benzyl N-(p-chloro)benzoyl-4-benzylaminobutyrate

Refernces

• 1、 -. "Acylhydrocarbylaminoalkanoic acids, compositions and uses". . . Retrieved 2008/06/13.