2-cyanomethyl-1-phenyl-1H-benzimidazole

Base Information

• Chemical Name: 2-cyanomethyl-1-phenyl-1H-benzimidazole
• CAS No.: 6468-35-5
• Molecular Formula: C15H11N3
• Molecular Weight: 233.272
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90496332
• Mol file: 6468-35-5.mol

Synonyms:6468-35-5;(1-PHENYL-1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE;2-cyanomethyl-1-phenyl-1H-benzimidazole;2-(1-Phenyl-2-benzimidazolyl)acetonitrile;(1-phenyl-1h-benzoimidazol-2-yl)acetonitrile;SCHEMBL10897524;DTXSID90496332;PUVJNGYMBOVTNS-UHFFFAOYSA-N;MFCD09746340;SY311803;(1-Phenyl-1H-benzimidazol-2-yl)acetonitrile

Chemical Property of 2-cyanomethyl-1-phenyl-1H-benzimidazole

Chemical Property:

• PSA: 41.61000
• LogP: 3.09158
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.095297364
• Heavy Atom Count: 18
• Complexity: 326

Purity/Quality:

95% ^*data from raw suppliers

(1-PHENYL-1H-BENZOIMIDAZOL-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)N2C3=CC=CC=C3N=C2CC#N

Technology Process of 2-cyanomethyl-1-phenyl-1H-benzimidazole

There total 7 articles about 2-cyanomethyl-1-phenyl-1H-benzimidazole 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: 73.0%

1H-benzimidazol-2-acetonitrile (4414-88-4) + phenylboronic acid (98-80-6) → 2-(1-phenyl-1H-benzo[d]imidazol-2-yl)acetonitrile (6468-35-5)

Guidance literature:

With C₂₀H₂₈CuN₄O₄⁽²⁺⁾*2Cl₄Cu^(2-)*C₂₂H₃₆CuN₄O₆⁽²⁺⁾; In methanol; at 20 ℃; for 22h; Schlenk technique;

DOI:10.1039/c8ob02254b

Reference yield: 66.0%

cyanoacetic acid amide (107-91-5) + N-phenyl-1,2-benzenediamine (534-85-0) → 2-(1-phenyl-1H-benzo[d]imidazol-2-yl)acetonitrile (6468-35-5)

Guidance literature:

at 200 ℃; for 0.333333h;

DOI:10.1016/j.dyepig.2012.05.024

Reference yield: 51.0%

ethyl 2-cyanoacetate (105-56-6) + N-phenyl-1,2-benzenediamine (534-85-0) → 2-(1-phenyl-1H-benzo[d]imidazol-2-yl)acetonitrile (6468-35-5)

Guidance literature:

2 h, 140 deg C, then 6 h, 160-180 deg C;

upstream raw materials:

ethyl 2-cyanoacetate

N-phenyl-1,2-benzenediamine

cyanoacetic acid amide

1H-benzimidazol-2-acetonitrile

Downstream raw materials:

5-phenylbenzimidazo[1,2-a]quinoline-6-carbonitrile

4-chloro-5-phenylbenzimidazo[1,2-a]quinoline-6-carbonitrile

2-chloro-5-phenylbenzimidazo[1,2-a]quinoline-6-carbonitrile

2-nitro-5-phenylbenzimidazo[1,2-a]quinoline-6-carbonitrile