1-benzoyl-5-nitro-1H-indole

Base Information

Chemical Name:1-benzoyl-5-nitro-1H-indole
CAS No.:512787-41-6
Molecular Formula:C15H10N2O3
Molecular Weight:266.256
Hs Code.:
DSSTox Substance ID:DTXSID50431502
Nikkaji Number:J2.111.065E
Wikidata:Q82245408
Mol file:512787-41-6.mol

Synonyms:1-benzoyl-5-nitro-1H-indole;512787-41-6;(5-Nitro-1H-indol-1-yl)(phenyl)methanone;SCHEMBL2769896;DTXSID50431502;KBEVTRAIDFWVAB-UHFFFAOYSA-N;Phenyl(5-nitro-1H-indole-1-yl) ketone

Suppliers and Price of 1-benzoyl-5-nitro-1H-indole

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 1-benzoyl-5-nitro-1H-indole

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:266.06914219
Heavy Atom Count:20
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Technology Process of 1-benzoyl-5-nitro-1H-indole

There total 3 articles about 1-benzoyl-5-nitro-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: 95.0%

: 6146-52-7
5-nitroindole

: 98-88-4
benzoyl chloride

: 512787-41-6
(5-nitro-1H-indol-1-yl)(phenyl)methanone

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 20 ℃; for 16h;
DOI:10.1039/c1cc15638a

Reference yield: 91.0%

: 6146-52-7
5-nitroindole

: 65-85-0,8013-63-6
benzoic acid

: 512787-41-6
(5-nitro-1H-indol-1-yl)(phenyl)methanone

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃;
DOI:10.1055/s-2004-831228

Reference yield:

: 65-85-0,8013-63-6
benzoic acid

: 512787-41-6
(5-nitro-1H-indol-1-yl)(phenyl)methanone

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-benzenedisulfonyl difluoride / acetonitrile / 1 h / 50 °C

2: acetonitrile / 16 h / 50 °C

With 1,3-benzenedisulfonyl difluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; In acetonitrile;
DOI:10.1002/chem.201701552