(1-benzyl-1H-imidazol-2-yl)acetonitrile

Base Information

• Chemical Name: (1-benzyl-1H-imidazol-2-yl)acetonitrile
• CAS No.: 21125-22-4
• Molecular Formula: C12H11 N3
• Molecular Weight: 197.239
• DSSTox Substance ID: DTXSID70355812
• Wikidata: Q82134867
• Mol file: 21125-22-4.mol

Synonyms:(1-benzyl-1H-imidazol-2-yl)acetonitrile;21125-22-4;2-(1-benzylimidazol-2-yl)acetonitrile;2-(1-benzyl-1H-imidazol-2-yl)acetonitrile;1H-Imidazole-2-acetonitrile, 1-(phenylmethyl)-;N-benzyl-2-cyanomethylimidazole;SCHEMBL9715226;1-Benzyl-2-cyanomethyl imidazole;DTXSID70355812;BMZHQSYXCWLVBE-UHFFFAOYSA-N;AKOS001341545;CS-0243582;FT-0690215;EN300-26599;J-500119;Z223847662

Chemical Property of (1-benzyl-1H-imidazol-2-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 4.81E-06mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 382.2°Cat760mmHg
• PKA: 5.58±0.31(Predicted)
• Flash Point: 184.9°C
• PSA: 41.61000
• Density: 1.08g/cm³
• LogP: 1.99748
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 197.095297364
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

(1-BENZYL-1H-IMIDAZOL-2-YL)ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CN=C2CC#N

Technology Process of (1-benzyl-1H-imidazol-2-yl)acetonitrile

There total 2 articles about (1-benzyl-1H-imidazol-2-yl)acetonitrile 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:

1-(phenylmethyl)-2-chloromethyl-1H-imidazole monohydrochloride (19276-03-0) → 1-benzyl-1H-imidazol-2ylacetonitrile (21125-22-4)

Guidance literature:

In methanol; dimethyl sulfoxide;

Reference yield:

→ 1-benzyl-1H-imidazol-2ylacetonitrile (21125-22-4)

Guidance literature:

1-Benzyl-2-chlormethyl-imidazol-hydrochlorid, KCN, A.;

DOI:10.1021/jm00311a025

Reference yield: 93.0%

1-benzyl-1H-imidazol-2ylacetonitrile (21125-22-4) + 2-(1,3-benzothiazol-2-yl)-2-(tetrahydro-2-furanyliden)acetonitrile (654064-80-9) → 3-(3-hydroxypropyl)-1-imino-2-(1-(phenylmethyl)-1H-imidazol-2-yl)-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile (1549537-37-2)

Guidance literature:

1-benzyl-1H-imidazol-2ylacetonitrile; With sodium hydride; In 1,4-dioxane; at 20 ℃; for 0.166667h;

2-(1,3-benzothiazol-2-yl)-2-(tetrahydro-2-furanyliden)acetonitrile; In 1,4-dioxane; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2013.12.074

upstream raw materials:

1-(phenylmethyl)-2-chloromethyl-1H-imidazole monohydrochloride

Downstream raw materials:

N-benzyl-2-imidazoleacetic acid ethyl ester hydrochloride

C₁₆H₁₅N₃O₂S

methyl 3-[(Z)-2-(1-benzyl-1H-imidazol-2-yl)-2-cyanovinyl]-4-chloro-6-fluoro-2H-chromene-2-carboxylate

N-[1-[2-cyano-2-[1,3-dihydro-1-(phenylmethyl)-2H-imidazol-2-ylidene]acetyl]cyclohexyl]-2,2,2-trifluoroacetamide

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