1h-Benzimidazole-1-butanenitrile

Base Information

Chemical Name:1h-Benzimidazole-1-butanenitrile
CAS No.:58553-97-2
Molecular Formula:C11H11N3
Molecular Weight:185.23
Hs Code.:
DSSTox Substance ID:DTXSID00517087
Wikidata:Q82378840
Mol file:58553-97-2.mol

Synonyms:58553-97-2;1h-benzimidazole-1-butanenitrile;1H-Benzimidazole-1-butanenitrile(9CI);N-cyanopropylbenzimidazole;SCHEMBL5884982;DTXSID00517087;DDORQOJXTXYJDR-UHFFFAOYSA-N;AKOS000195591;4-(1H-Benzimidazol-1-yl)butanenitrile

Suppliers and Price of 1h-Benzimidazole-1-butanenitrile

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

American Custom Chemicals Corporation
1H-BENZIMIDAZOLE-1-BUTANENITRILE 95.00%
5MG
$ 504.22

Total 2 raw suppliers

Chemical Property of 1h-Benzimidazole-1-butanenitrile

Chemical Property:

PSA：41.61000
LogP:2.34008
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:185.095297364
Heavy Atom Count:14
Complexity:230

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1H-BENZIMIDAZOLE-1-BUTANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=CN2CCCC#N

Technology Process of 1h-Benzimidazole-1-butanenitrile

There total 4 articles about 1h-Benzimidazole-1-butanenitrile 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: 85.0%

: 1-(2-cyanoethyl)-3-(3-cyanopropyl)-1H-benzimidazolium bromide

: 58553-97-2
4-(1H-benzo[d]imidazol-1-yl)butanenitrile

Guidance literature:: With sodium hydroxide; for 0.833333h; Ambient temperature;
DOI:10.1055/s-1994-25414

Reference yield: 62.0%

: 51-17-2,79351-71-6
benzoimidazole

: cyclobutanone O-perfluorobenzoyl oxime

: 58553-97-2
4-(1H-benzo[d]imidazol-1-yl)butanenitrile

Guidance literature:: With copper(II) bis(trifluoromethanesulfonate); N-ethyl-N,N-diisopropylamine; 4,4'-di-tert-butyl-2,2'-bipyridine; In dimethyl sulfoxide; at 20 ℃; for 16h; Inert atmosphere; Sealed tube; Irradiation;
DOI:10.1021/acs.joc.9b01084

Reference yield:

: 51-17-2,79351-71-6
benzoimidazole

: 5332-06-9
4-bromobutanenitrile

: 58553-97-2
4-(1H-benzo[d]imidazol-1-yl)butanenitrile

Guidance literature:: benzoimidazole; With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 1h;

4-bromobutanenitrile; In dimethyl sulfoxide; for 2h;
DOI:10.1002/aoc.3256