Indole-5-carbonitrile, 3-benzoyl-

Base Information

Chemical Name:Indole-5-carbonitrile, 3-benzoyl-
CAS No.:17380-22-2
Molecular Formula:C16H10N2O
Molecular Weight:246.2634
Hs Code.:
DSSTox Substance ID:DTXSID80169664
Wikidata:Q83039374

Synonyms:5-Cyanoindolyl-3-phenylketone;3-Benzoylindole-5-carbonitrile;INDOLE-5-CARBONITRILE, 3-BENZOYL-;17380-22-2;C16H10N2O;DTXSID80169664;C16-H10-N2-O;LS-82433

Suppliers and Price of Indole-5-carbonitrile, 3-benzoyl-

Supply Marketing:

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

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Chemical Property of Indole-5-carbonitrile, 3-benzoyl-

Chemical Property:

Vapor Pressure:7.01E-10mmHg at 25°C
Boiling Point:493.5°Cat760mmHg
Flash Point:252.3°C
Density:1.31g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:246.079312947
Heavy Atom Count:19
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C2=CNC3=C2C=C(C=C3)C#N

Technology Process of Indole-5-carbonitrile, 3-benzoyl-

There total 3 articles about Indole-5-carbonitrile, 3-benzoyl- 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: 88.0%

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 98-88-4
benzoyl chloride

: 17380-22-2
(5-cyano-1H-indol-3-yl)phenylmethanone

Guidance literature:: With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; zinc(II) oxide; at 15 ℃; for 3h; Inert atmosphere;
DOI:10.3184/174751912X13460004925054

Reference yield: 51.0%

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 758640-21-0,103-32-2
N-Benzylaniline

: 17380-22-2
(5-cyano-1H-indol-3-yl)phenylmethanone

Guidance literature:: With tert.-butylhydroperoxide; ruthenium(III)chloride hydrate; trimethylpyruvic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In decane; dimethyl sulfoxide; at 50 ℃; for 24h; regioselective reaction; Inert atmosphere;
DOI:10.1021/ja2048495

Reference yield: 47.0%

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 611-73-4
Benzoylformic acid

: 17380-22-2
(5-cyano-1H-indol-3-yl)phenylmethanone

Guidance literature:: With rose bengal; In ethanol; at 20 ℃; for 10h; regioselective reaction; Molecular sieve; Irradiation;
DOI:10.1039/c6gc00516k