2-(4-Chloro-benzoylamino)-3-methyl-butyric acid

Base Information

Chemical Name:2-(4-Chloro-benzoylamino)-3-methyl-butyric acid
CAS No.:93709-63-8
Molecular Formula:C12H14 Cl N O3
Molecular Weight:0
Hs Code.:2924299090
European Community (EC) Number:879-156-4
DSSTox Substance ID:DTXSID90377879
ChEMBL ID:CHEMBL1494523
Mol file:93709-63-8.mol

Synonyms:2-(4-Chloro-benzoylamino)-3-methyl-butyric acid;93709-63-8;2-[(4-chlorophenyl)formamido]-3-methylbutanoic acid;2-[(4-chlorobenzoyl)amino]-3-methylbutanoic acid;1629857-89-1;(4-Chlorobenzoyl)valine;SMR000135795;N-(4-chlorobenzoyl)valine;Oprea1_432444;MLS000530757;CHEMBL1494523;DTXSID90377879;HMS2423F03;N-[(4-chlorophenyl)carbonyl]valine;STK037123;AKOS000114593;AKOS016050248;CS-0218130;EN300-00203;SR-01000242045;SR-01000242045-1;Z57228977

Suppliers and Price of 2-(4-Chloro-benzoylamino)-3-methyl-butyric acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(4-CHLORO-BENZOYLAMINO)-3-METHYL-BUTYRIC ACID 95.00%
5G
$ 1005.43

American Custom Chemicals Corporation
2-(4-CHLORO-BENZOYLAMINO)-3-METHYL-BUTYRIC ACID 95.00%
1G
$ 648.81

Total 3 raw suppliers

Chemical Property of 2-(4-Chloro-benzoylamino)-3-methyl-butyric acid

Chemical Property:

Vapor Pressure:4.86E-09mmHg at 25°C
Boiling Point:454.2°Cat760mmHg
Flash Point:228.5°C
PSA：66.40000
Density:1.258g/cm³
LogP:2.56990
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:255.0662210
Heavy Atom Count:17
Complexity:286

Purity/Quality:: 2-(4-CHLORO-BENZOYLAMINO)-3-METHYL-BUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Chloro-benzoylamino)-3-methyl-butyric acid

There total 2 articles about 2-(4-Chloro-benzoylamino)-3-methyl-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:

: 122-01-0
4-chloro-benzoyl chloride

: 516-06-3,25609-85-2,7004-03-7,921-10-8
D,L-valine

: 93709-63-8
N-(4-chloro-benzoyl)-valine

Guidance literature:: With sodium hydroxide;

Reference yield:

: 72-18-4,25609-85-2,7004-03-7,921-10-8
L-valine

: 122-01-0
4-chloro-benzoyl chloride

: 93709-63-8
N-4-chlorobenzoyl-L-valine

Guidance literature:: With sodium hydroxide; at 0 - 20 ℃; Schotten-Baumann method;

Reference yield: 90.0%

: 93709-63-8
N-(4-chloro-benzoyl)-valine

: 611-73-4
Benzoylformic acid

: 8-chloro-3-isopropyl-9b-phenyloxazolo[2,3-a]isoindole-2,5-(3H,9bH)-dione

Guidance literature:: With dipotassium peroxodisulfate; palladium diacetate; toluene-4-sulfonic acid; In 1,2-dichloro-ethane; at 70 ℃; for 12h; diastereoselective reaction;
DOI:10.1021/acs.joc.8b02509