2-Tert-butyl-5-nitro-1H-indole-7-carbonitrile

Base Information

Chemical Name:2-Tert-butyl-5-nitro-1H-indole-7-carbonitrile
CAS No.:952664-97-0
Molecular Formula:C₁₃H₁₃N₃O₂
Molecular Weight:243.265
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40697751
Wikidata:Q82627754
Mol file:952664-97-0.mol

Synonyms:2-TERT-BUTYL-5-NITRO-1H-INDOLE-7-CARBONITRILE;952664-97-0;SCHEMBL1465526;DTXSID40697751;BSJQIBDHKIHBHB-UHFFFAOYSA-N;A845262;2-tert-but2-tert-butyl-5-nitro-1H-indole-7-carbonitrileyl-5-nitro-1H-indole-7-carbonitrile

Suppliers and Price of 2-Tert-butyl-5-nitro-1H-indole-7-carbonitrile

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
Packaging
price

Total 4 raw suppliers

Chemical Property of 2-Tert-butyl-5-nitro-1H-indole-7-carbonitrile

Chemical Property:

PSA：85.40000
LogP:3.76848
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:243.100776666
Heavy Atom Count:18
Complexity:387

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=CC(=CC(=C2N1)C#N)[N+](=O)[O-]

Technology Process of 2-Tert-butyl-5-nitro-1H-indole-7-carbonitrile

There total 3 articles about 2-Tert-butyl-5-nitro-1H-indole-7-carbonitrile 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:

: 952664-96-9
2-amino-3-(3,3-dimethylbut-1-ynyl)-5-nitrobenzonitrile

: 952664-97-0
2-tert-butyl-5-nitro-1H-indole-7-carbonitrile

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; Heating / reflux;

Reference yield:

: 17601-94-4
2-amino-3-bromo-5-nitrobenzonitrile

: 952664-97-0
2-tert-butyl-5-nitro-1H-indole-7-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: CuI / Pd(PPh₃)2Cl₂ / ethyl acetate; triethylamine; Petroleum ether

2: tetrabutyl ammonium fluoride / tetrahydrofuran; water

With CuI; tetrabutyl ammonium fluoride; Pd(PPh₃)2Cl₂; In tetrahydrofuran; water; ethyl acetate; triethylamine; Petroleum ether;

Reference yield:

: 917-92-0
3,3-Dimethylbut-1-yne

: 952664-97-0
2-tert-butyl-5-nitro-1H-indole-7-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: CuI / Pd(PPh₃)2Cl₂ / ethyl acetate; triethylamine; Petroleum ether

2: tetrabutyl ammonium fluoride / tetrahydrofuran; water

With CuI; tetrabutyl ammonium fluoride; Pd(PPh₃)2Cl₂; In tetrahydrofuran; water; ethyl acetate; triethylamine; Petroleum ether;