Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-

Base Information

Chemical Name:Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-
CAS No.:102121-12-0
Molecular Formula:C17H17NO3
Molecular Weight:283.327
Hs Code.:
DSSTox Substance ID:DTXSID60439019
Nikkaji Number:J783.025D
Wikidata:Q82254888
ChEMBL ID:CHEMBL32177
Mol file:102121-12-0.mol

Synonyms:102121-12-0;Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-;CHEMBL32177;SCHEMBL8458801;DTXSID60439019;AKOS009125123;4-[(3-Isopropylphenyl)carbamoyl]benzoic acid

Suppliers and Price of Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-

Supply Marketing:

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

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Chemical Property of Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:283.12084340
Heavy Atom Count:21
Complexity:372

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)O

Technology Process of Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-

There total 3 articles about Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]- 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: 80.8%

: 102121-13-1
methyl 4-<(3-isopropylphenyl)carbamoyl>benzoate

: 102121-12-0
4-<(3-isopropylphenyl)carbamoyl>benzoic acid

Guidance literature:: With sodium hydroxide; In ethanol; Ambient temperature;
DOI:10.1021/jm00119a021

Reference yield:

: 5369-16-4
meta-iso-propyl aniline

: 102121-12-0
4-<(3-isopropylphenyl)carbamoyl>benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / benzene / Ambient temperature

2: 80.8 percent / aq. NaOH / ethanol / Ambient temperature

With pyridine; sodium hydroxide; In ethanol; benzene;
DOI:10.1021/jm00119a021

Reference yield:

: 7377-26-6
4-Methoxycarbonylbenzoyl chloride

: 102121-12-0
4-<(3-isopropylphenyl)carbamoyl>benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / benzene / Ambient temperature

2: 80.8 percent / aq. NaOH / ethanol / Ambient temperature

With pyridine; sodium hydroxide; In ethanol; benzene;
DOI:10.1021/jm00119a021