2-(Diphenylphosphino)-1-methyl-1H-benzimidazole

Base Information

• Chemical Name: 2-(Diphenylphosphino)-1-methyl-1H-benzimidazole
• CAS No.: 80679-28-3
• Molecular Formula: C20H17 N2 P
• Molecular Weight: 316.342
• DSSTox Substance ID: DTXSID80513360
• Nikkaji Number: J3.252.967D
• Wikidata: Q82373138
• Mol file: 80679-28-3.mol

Synonyms:80679-28-3;2-(DIPHENYLPHOSPHINO)-1-METHYL-1H-BENZIMIDAZOLE;(1-methylbenzimidazol-2-yl)-diphenylphosphane;SCHEMBL13977820;DTXSID80513360;AKOS000123381;2-(Diphenylphosphanyl)-1-methyl-1H-benzimidazole;2-(diphenylphosphanyl)-1-methyl-1H-1,3-benzodiazole

Chemical Property of 2-(Diphenylphosphino)-1-methyl-1H-benzimidazole

Chemical Property:

• PSA: 31.41000
• LogP: 3.33150
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 316.112935548
• Heavy Atom Count: 23
• Complexity: 358

Purity/Quality:

2-(DIPHENYLPHOSPHINO)-1-METHYL-1H-BENZIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1P(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 2-(Diphenylphosphino)-1-methyl-1H-benzimidazole

There total 2 articles about 2-(Diphenylphosphino)-1-methyl-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: 65.0%

1-Methylbenzimidazole (1632-83-3) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → 2-(diphenylphosphino)-1-methyl-1H-benzo[d]imidazole (80679-28-3)

Guidance literature:

1-Methylbenzimidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 0.5h; Inert atmosphere;

chloro-diphenylphosphine; In tetrahydrofuran; hexane; at -30 - 50 ℃; Inert atmosphere;

DOI:10.1002/chem.201300899

Reference yield: 62.0%

chloro-diphenylphosphine (1079-66-9,74391-44-9) + 1-methyl-2-trimethylsilanyl-1H-benzoimidazole (35342-95-1) → 2-(diphenylphosphino)-1-methyl-1H-benzo[d]imidazole (80679-28-3)

Guidance literature:

at 90 - 95 ℃; for 1.5h;

DOI:10.1021/jo00347a023

Reference yield:

(tetrahydrothiophene)gold(I) chloride (39929-21-0) + 2-(diphenylphosphino)-1-methyl-1H-benzo[d]imidazole (80679-28-3) → C20H17AuClN2P

Guidance literature:

In tetrahydrofuran; for 3h;

DOI:10.1016/j.molstruc.2016.11.070

upstream raw materials:

chloro-diphenylphosphine

1-methyl-2-trimethylsilanyl-1H-benzoimidazole

1-Methylbenzimidazole