1-Propyl-1h-benzimidazole

Base Information

• Chemical Name: 1-Propyl-1h-benzimidazole
• CAS No.: 7665-66-9
• Molecular Formula: C10H12N2
• Molecular Weight: 160.219
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50353376
• Nikkaji Number: J1.066.547G
• Wikidata: Q82130942
• Mol file: 7665-66-9.mol

Synonyms:1-propyl-1h-benzimidazole;7665-66-9;1-propylbenzimidazole;1-Propyl-1H-benzoimidazole;1-propyl-1H-1,3-benzodiazole;1H-Benzimidazole, 1-propyl-;Enamine_004199;SCHEMBL230330;1-Propyl-1H-benzo[d]imidazole;DTXSID50353376;LZUVIELFLONRSS-UHFFFAOYSA-N;HMS1405O19;1H-Benzimidazole,1-propyl-(9CI);STL565167;AKOS000115857;CCG-249363;FT-0691164;EN300-02922;Z53833307

Chemical Property of 1-Propyl-1h-benzimidazole

Chemical Property:

• Vapor Pressure: 0.00347mmHg at 25°C
• Boiling Point: 281.9oC at 760 mmHg
• Flash Point: 124.3oC
• PSA: 17.82000
• Density: 1.06g/cm3
• LogP: 2.44630
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

98%Min ^*data from raw suppliers

1-propyl-1H-1,3-benzodiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C=NC2=CC=CC=C21

Technology Process of 1-Propyl-1h-benzimidazole

There total 8 articles about 1-Propyl-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: 77.0%

C10H16N2 + benzylamine (100-46-9) → 1-propylbenzimidazole (7665-66-9) + 2-phenyl-1-n-propyl-1H-benzo[d]imidazole (314769-68-1)

Guidance literature:

With C₈H₇NO₃; copper(ll) bromide; In methanol; at 45 ℃; for 24h; Green chemistry;

DOI:10.1002/ejoc.201501520

Reference yield: 38.0%

1-allylbenzimidazole (19018-22-5) + carbon monoxide (201230-82-2) → benzoimidazole (51-17-2,79351-71-6) + 1-propylbenzimidazole (7665-66-9) + 1-benzimidazolebutanol (62780-80-7) + 1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyridin-4-ol (21269-85-2)

Guidance literature:

With (acetylacetonato)dicarbonylrhodium (l); hydrogen; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; for 72h; under 15001.5 Torr; Autoclave; Heating;

DOI:10.1002/ejoc.201301243

Reference yield:

1-ethyl-3-propyl-benzimidazolium; iodide (108410-42-0) → 1-propylbenzimidazole (7665-66-9) + ethyl iodide (75-03-6)

Guidance literature:

Thermolysis;

upstream raw materials:

1-ethyl-3-propyl-benzimidazolium; iodide

1-<3-(phenylselanyl)propyl>-1H-benzimidazole

methyl 4-(1H-benzimidazol-1-yl)butanoate

4-(1-H-benzimidazol-1-yl)butanoic acid

Refernces

• 1、 Weemers, Jarno J. M.,Sypaseuth, Fanni D.,B?uerlein, Patrick S.,Van Der Graaff, William N. P.,Filot, Ivo A. W.,Lutz, Martin,Müller, Christian. "Development of a Benzimidazole-Derived Bidentate P,N-Ligand for Enantioselective Iridium-Catalyzed Hydrogenations". supporting information. p. 350 - 362. Retrieved 2015/10/05.
• 2、 Aldabbagh, Fawaz,Bowman, W. Russell. "Radical cyclisation onto imidazoles and benzimidazoles". . p. 4109 - 4122. Retrieved 2007/10/03.