Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-

Base Information

Chemical Name:Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-
CAS No.:443920-37-4
Molecular Formula:C12H9N3O
Molecular Weight:211.223
Hs Code.:
DSSTox Substance ID:DTXSID40592439
Wikidata:Q82486552

Synonyms:443920-37-4;Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-;4-(3-METHYLIMIDAZOLE-4-CARBONYL)BENZONITRILE;SCHEMBL5088981;DTXSID40592439;DB-123190;4-(1-Methyl-1H-imidazole-5-carbonyl)benzonitrile

Suppliers and Price of Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-

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

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Chemical Property of Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:211.074561919
Heavy Atom Count:16
Complexity:312

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=NC=C1C(=O)C2=CC=C(C=C2)C#N

Technology Process of Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-

There total 5 articles about Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]- 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:

: 557-21-1
zinc(II) cyanide

: (4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)-methanone

: 443920-37-4
4-[(1-Methyl-1H-imidazol-5-yl)carbonyl]benzonitrile

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; zinc; XPhos; In N,N-dimethyl acetamide; at 120 ℃; Inert atmosphere;

Reference yield:

: 371765-91-2
4-(hydroxy(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile

: 443920-37-4
4-[(1-Methyl-1H-imidazol-5-yl)carbonyl]benzonitrile

Guidance literature:: In 1,4-dioxane;

Reference yield:

: 122-01-0
4-chloro-benzoyl chloride

: 443920-37-4
4-[(1-Methyl-1H-imidazol-5-yl)carbonyl]benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: pyridine / dichloromethane / 72 h / 20 °C

2.1: ethylmagnesium bromide / tetrahydrofuran; diethyl ether / 0.33 h / Inert atmosphere; Cooling with ice

2.2: 20 °C / Inert atmosphere

3.1: zinc; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos / N,N-dimethyl acetamide / 120 °C / Inert atmosphere

With pyridine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; ethylmagnesium bromide; zinc; XPhos; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl acetamide;