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

Base Information

Chemical Name:Benzoic acid, 4-[[[3,4-bis(1-methylethyl)phenyl]amino]carbonyl]-
CAS No.:102121-25-5
Molecular Formula:C20H23NO3
Molecular Weight:325.408
Hs Code.:
DSSTox Substance ID:DTXSID60439059
Nikkaji Number:J783.027K
Wikidata:Q82254937
ChEMBL ID:CHEMBL70126
Mol file:102121-25-5.mol

Synonyms:Benzoic acid, 4-[[[3,4-bis(1-methylethyl)phenyl]amino]carbonyl]-;102121-25-5;CHEMBL70126;SCHEMBL8458858;DTXSID60439059;4-[(3,4-Diisopropylphenyl)carbamoyl]benzoic acid

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

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:325.16779360
Heavy Atom Count:24
Complexity:438

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 5 articles about Benzoic acid, 4-[[[3,4-bis(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: 75.3%

: 102121-26-6
methyl 4-<(3,4-diisopropylphenyl)carbamoyl>benzoate

: 102121-25-5
4-[(3,4-diisopropylphenyl)carbamoyl]benzoic acid

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

Reference yield:

: 577-55-9
1,2-diisopropylbenzene

: 102121-25-5
4-[(3,4-diisopropylphenyl)carbamoyl]benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 81.6 percent / HNO₃, H₂SO₄ / acetic acid

2: 83 percent / hydrogen / Pd/C / ethanol

3: 61.6 percent / pyridine / benzene / Ambient temperature

4: 75.3 percent / aq. NaOH / ethanol / Ambient temperature

With pyridine; sodium hydroxide; sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In ethanol; acetic acid; benzene;
DOI:10.1021/jm00119a021

Reference yield:

: 116233-14-8
3,4-diisopropylnitrobenzene

: 102121-25-5
4-[(3,4-diisopropylphenyl)carbamoyl]benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / hydrogen / Pd/C / ethanol

2: 61.6 percent / pyridine / benzene / Ambient temperature

3: 75.3 percent / aq. NaOH / ethanol / Ambient temperature

With pyridine; sodium hydroxide; hydrogen; palladium on activated charcoal; In ethanol; benzene;
DOI:10.1021/jm00119a021