2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile

Base Information

• Chemical Name: 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile
• CAS No.: 2735-62-8
• Molecular Formula: C10H9N3
• Molecular Weight: 171.202
• Hs Code.: 2933990090
• European Community (EC) Number: 836-487-9
• DSSTox Substance ID: DTXSID7062615
• Nikkaji Number: J421.631H
• Wikidata: Q72487918
• Mol file: 2735-62-8.mol

Synonyms:2735-62-8;2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile;(1-Methyl-1H-benzoimidazol-2-yl)acetonitrile;2-(1-methylbenzimidazol-2-yl)acetonitrile;1H-Benzimidazole-2-acetonitrile, 1-methyl-;(1-Methyl-1H-benzoimidazol-2-yl)-acetonitrile;1-Methyl-2-benzimidazoleacetonitrile;MFCD00227239;Enamine_000746;2-(1-methyl-1H-1,3-benzodiazol-2-yl)acetonitrile;F0020-0047;SCHEMBL3874703;DTXSID7062615;HMS1396B20;1-methyl-2-benzimidazolylacetonitrile;AKOS000115263;AM84293;CS-W007266;DS-4073;1-Methyl-1H-benzimidazole-2-acetonitrile;EU-0033424;FT-0651396;EN300-01281;(1-Methyl-1H-benzimidazol-2-yl)-acetonitrile;1H-Benzimidazole-2-acetonitrile,1-methyl-(9CI);A876959;SR-01000389018;SR-01000389018-1;Z56786604

Chemical Property of 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 5.45E-06mmHg at 25°C
• Refractive Index: 1.624
• Boiling Point: 380.4 °C at 760 mmHg
• Flash Point: 183.9 °C
• PSA: 41.61000
• Density: 1.15g/cm³
• LogP: 1.63938
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 171.079647300
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

(1-Methyl-1h-benzoimidazol-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1CC#N

Technology Process of 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile

There total 10 articles about 2-(1-methyl-1H-benzo[d]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: 78.0%

1H-benzimidazol-2-acetonitrile (4414-88-4) + dimethyl sulfate (77-78-1) → (1-methylbenzimidazol-2-yl)acetonitrile (2735-62-8)

Guidance literature:

With sodium hydroxide; In water; at 30 ℃; for 1h;

DOI:10.1016/j.bmc.2016.03.036

Reference yield: 75.0%

1H-benzimidazol-2-acetonitrile (4414-88-4) + methyl iodide (74-88-4) → (1-methylbenzimidazol-2-yl)acetonitrile (2735-62-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.10.073

Reference yield: 62.0%

N-methyl-1,2-phenylenediamine (4760-34-3) + methyl 2-cyanoacetate (105-34-0) → (1-methylbenzimidazol-2-yl)acetonitrile (2735-62-8)

Guidance literature:

for 3h; Heating;

upstream raw materials:

N-methyl-1,2-phenylenediamine

methyl 2-cyanoacetate

1H-benzimidazol-2-acetonitrile

methyl iodide

Downstream raw materials:

(1-Methylbenzimidazol-2-yl)(cyclohexylidenamino)acetamid

3-Amino-2-benzyl-4-(1-methyl-1H-benzoimidazol-2-yl)-7-nitro-2H-isoquinolin-1-one

4-(1-Methyl-1H-benzoimidazol-2-yl)-7-nitro-1,1-dioxo-2-phenyl-1,2-dihydro-1λ⁶-benzo[e][1,2]thiazin-3-ylamine

2-Amino-1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo<2,3-b>quinoxaline