1-Benzoyl-1H-indole

Base Information

• Chemical Name: 1-Benzoyl-1H-indole
• CAS No.: 1496-76-0
• Molecular Formula: C15H11 N O
• Molecular Weight: 221.258
• DSSTox Substance ID: DTXSID40164352
• Nikkaji Number: J432.992I
• Wikidata: Q83033436
• ChEMBL ID: CHEMBL1572010
• Mol file: 1496-76-0.mol

Synonyms:1-Benzoyl-1H-indole;1496-76-0;(1H-indol-1-yl)(phenyl)methanone;1H-Indole, 1-benzoyl-;indol-1-yl(phenyl)methanone;N-benzoylindole;Benzoyl-3-indole;Benzoyl-3-indole [French];BRN 0156339;1H-indol-1-yl(phenyl)methanone;Benzoyl-3-indole (french);5-20-07-00020 (Beilstein Handbook Reference);starbld0032096;Maybridge4_003414;indol-1-yl-phenylmethanone;Cambridge id 5107193;CBDivE_003094;MLS000104484;SCHEMBL1413391;CHEMBL1572010;DTXSID40164352;HMS1530L04;HMS2277M07;BBL010655;CCG-41158;MFCD00087494;STK801678;AKOS001586359;LS-82353;SMR000054419;VS-02604;CS-0328682;SR-01000389840;SR-01000389840-1;SR-01000389840-3;BRD-K85510129-001-01-5

Chemical Property of 1-Benzoyl-1H-indole

Chemical Property:

• Vapor Pressure: 0.000707mmHg at 25°C
• Boiling Point: 307.8°Cat760mmHg
• Flash Point: 140°C
• Density: 1.12g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.084063974
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C32

Technology Process of 1-Benzoyl-1H-indole

There total 62 articles about 1-Benzoyl-1H-indole 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: 99.0%

indole (120-72-9) + vinyl benzoate (769-78-8,24991-32-0) → N-benzoylindole (1496-76-0)

Guidance literature:

With sodium carbonate; In acetonitrile; at 120 ℃; for 24h; regioselective reaction; Schlenk technique;

DOI:10.1055/s-0037-1609937

Reference yield: 97.0%

indole (120-72-9) + benzoyl chloride (98-88-4) → N-benzoylindole (1496-76-0)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja308742x DOI:10.1021/ja308742x

Reference yield: 95.0%

1-(2-nitro-1-phenylvinyl)-1H-indole → N-benzoylindole (1496-76-0)

Guidance literature:

With manganese(IV) oxide; water; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2012.04.066

upstream raw materials:

indole

benzoyl chloride

benzoic acid

vinyl acetate

Downstream raw materials:

5-Benzoyl-5H-pyridazino[4,5-b]indole-1,4-dicarboxylic acid dimethyl ester

2-(Benzoylamino)benzoic Acid

1-benzoyl-3-chloro-indole

indole