4-[3-(4-Chlorophenyl)propanamido]benzoic acid

Base Information

Chemical Name:4-[3-(4-Chlorophenyl)propanamido]benzoic acid
CAS No.:53901-92-1
Molecular Formula:C16H14ClNO3
Molecular Weight:303.745
Hs Code.:
ChEMBL ID:CHEMBL31290
DSSTox Substance ID:DTXSID00542399
Mol file:53901-92-1.mol

Synonyms:53901-92-1;4-[3-(4-Chlorophenyl)propanamido]benzoic acid;CHEMBL31290;SCHEMBL10953379;DTXSID00542399

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

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Chemical Property of 4-[3-(4-Chlorophenyl)propanamido]benzoic acid

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:303.0662210
Heavy Atom Count:21
Complexity:359

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CCC(=O)NC2=CC=C(C=C2)C(=O)O)Cl

Technology Process of 4-[3-(4-Chlorophenyl)propanamido]benzoic acid

There total 4 articles about 4-[3-(4-Chlorophenyl)propanamido]benzoic 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: 83.0%

: 86373-57-1
4-(p-Chlorohydrocinnamamido)benzoic acid, ethyl ester

: 53901-92-1
4-[3-(4-Chloro-phenyl)-propionylamino]-benzoic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1021/jm00364a009

Reference yield:

: 95269-17-3
ethyl 4-<(4-chlorocinnamoyl)amino>benzoate

: 53901-92-1
4-[3-(4-Chloro-phenyl)-propionylamino]-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / H₂ / 10percent Pd/C / tetrahydrofuran / 2 h / 1810.02 Torr

2: 83 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00364a009

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 53901-92-1
4-[3-(4-Chloro-phenyl)-propionylamino]-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 91 percent / triethylamine / CH₂Cl₂ / Ambient temperature

2: 89 percent / H₂ / 10percent Pd/C / tetrahydrofuran / 2 h / 1810.02 Torr

3: 83 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1021/jm00364a009