3-(2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid

Base Information

Chemical Name:3-(2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
CAS No.:91306-88-6
Molecular Formula:C₂₄H₂₅NO₂
Molecular Weight:359.468
Hs Code.:
DSSTox Substance ID:DTXSID30919838
Wikidata:Q82892424

Synonyms:3-(2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid;Benzoic acid, 3-(2-(4-cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)-;91306-88-6;3-[2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl]benzoic acid;DTXSID30919838;LS-36693

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Supply Marketing:

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

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Chemical Property of 3-(2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid

Chemical Property:

Vapor Pressure:1.88E-13mmHg at 25°C
Boiling Point:561.7°Cat760mmHg
Flash Point:293.5°C
Density:1.16g/cm³
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:359.188529040
Heavy Atom Count:27
Complexity:493

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C4CCCCC4

Technology Process of 3-(2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid

There total 3 articles about 3-(2-(4-Cyclohexylphenyl)-5-methyl-1H-pyrrol-1-yl)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: 68.0%

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 91306-67-1
(cyclohexyl-4-phenyl)-1-pentanedione-1,4

: 91306-88-6
3-[2-(4-Cyclohexyl-phenyl)-5-methyl-pyrrol-1-yl]-benzoic acid

Guidance literature:: With toluene-4-sulfonic acid; In toluene; for 6h; Heating;

Reference yield:

: 1490-24-0
4-oxo-pentanoyl chloride

: 91306-88-6
3-[2-(4-Cyclohexyl-phenyl)-5-methyl-pyrrol-1-yl]-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 42 percent / AlCl₃ / CH₂Cl₂ / 5 h / Ambient temperature

2: 68 percent / p-toluene sulphonic acid / toluene / 6 h / Heating

With aluminium trichloride; toluene-4-sulfonic acid; In dichloromethane; toluene;

Reference yield:

: 827-52-1,5379-26-0
1-phenyl-1-cyclohexane

: 91306-88-6
3-[2-(4-Cyclohexyl-phenyl)-5-methyl-pyrrol-1-yl]-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 42 percent / AlCl₃ / CH₂Cl₂ / 5 h / Ambient temperature

2: 68 percent / p-toluene sulphonic acid / toluene / 6 h / Heating

With aluminium trichloride; toluene-4-sulfonic acid; In dichloromethane; toluene;