1-Benzoyl-1H-indole-5-carboxylic acid

Base Information

Chemical Name:1-Benzoyl-1H-indole-5-carboxylic acid
CAS No.:496946-82-8
Molecular Formula:C₁₆H₁₁NO₃
Molecular Weight:265.268
Hs Code.:
DSSTox Substance ID:DTXSID101288624
Mol file:496946-82-8.mol

Synonyms:1-Benzoyl-1H-indole-5-carboxylic acid;496946-82-8;SCHEMBL5069167;WTRUFEMFNPRPMG-UHFFFAOYSA-N;DTXSID101288624

Suppliers and Price of 1-Benzoyl-1H-indole-5-carboxylic acid

Supply Marketing:

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

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Chemical Property of 1-Benzoyl-1H-indole-5-carboxylic acid

Chemical Property:

PSA：59.30000
LogP:3.02800
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:265.07389321
Heavy Atom Count:20
Complexity:389

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)N2C=CC3=C2C=CC(=C3)C(=O)O

Technology Process of 1-Benzoyl-1H-indole-5-carboxylic acid

There total 5 articles about 1-Benzoyl-1H-indole-5-carboxylic 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: 66.0%

: benzoyl-1H-indole-5-carboxylic acid benzyl ester

: 496946-82-8
1-benzoyl-1H-indole-5-carboxylic acid

Guidance literature:: With hydrogen; 5%-palladium/activated carbon; In ethanol; at 20 ℃;

Reference yield:

: C₁₈H₁₅NO₃

: 496946-82-8
1-benzoyl-1H-indole-5-carboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 - 30 ℃;
DOI:10.1016/j.bioorg.2019.02.048

Reference yield:

: 98-88-4
benzoyl chloride

: 496946-82-8
1-benzoyl-1H-indole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / NaOH; tetrabutylammonium hydrogen sulfate / CH₂Cl₂ / 1 h

2: 56 percent / N,N-dimethylaniline; aluminum chloride / CH₂Cl₂ / 2 h / 20 °C

With sodium hydroxide; aluminium trichloride; tetra(n-butyl)ammonium hydrogensulfate; N,N-dimethyl-aniline; In dichloromethane;