2-Butyl-1H-benzimidazole

Base Information

• Chemical Name: 2-Butyl-1H-benzimidazole
• CAS No.: 5851-44-5
• Molecular Formula: C11H14 N2
• Molecular Weight: 174.246
• Hs Code.: 2933990090
• UNII: T9047MOT1H
• DSSTox Substance ID: DTXSID60207230
• Nikkaji Number: J41.317H
• Wikidata: Q27289824
• Metabolomics Workbench ID: 46191
• ChEMBL ID: CHEMBL172172
• Mol file: 5851-44-5.mol

Synonyms:2-Butyl-1H-benzimidazole;5851-44-5;2-Butylbenzimidazole;1H-Benzimidazole, 2-butyl-;2-butyl-benzimidazol;2-butyl-1H-benzo[d]imidazole;2-butyl-1H-1,3-benzodiazole;BENZIMIDAZOLE, 2-BUTYL-;2-Butyl-1H-benzoimidazole;2-Butyl-benzimidazole;BRN 0125144;UNII-T9047MOT1H;CHEMBL172172;T9047MOT1H;5-23-07-00016 (Beilstein Handbook Reference);2-butyl-1H-benzimidazol;butyl benzimidazole;2-n-butylbenzimidazole;2-n-butyl-benzimidazole;2-n-Butyl benzimidazole;2-butyl -1H-benzimidazol;2-Butyl-1H-benzimidazole #;MLS001005082;SCHEMBL379648;F0853-0108;IFLab1_003920;2-butyl-1H-1,3-benzimidazole;DTXSID60207230;2-(But-1-yl)-1H-benzimidazole;CHEBI:188975;HMS1423C04;HMS2709E16;BDBM50404919;MFCD00714456;STK825762;AKOS000115855;AS-8375;NCGC00246042-01;LS-32678;SMR000377905;BB 0241935;CS-0219049;FT-0691057;EN300-02920;AB00600449-07;Q27289824;Z55692901

Chemical Property of 2-Butyl-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 5.3E-05mmHg at 25°C
• Boiling Point: 358.3°C at 760 mmHg
• Flash Point: 181.3°C
• PSA: 28.68000
• Density: 1.082g/cm³
• LogP: 2.90550
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC2=CC=CC=C2N1

Technology Process of 2-Butyl-1H-benzimidazole

There total 23 articles about 2-Butyl-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: 96.0%

pentan-1-ol (71-41-0) + 1,2-diamino-benzene (95-54-5) → 2-n-butylbenzimidazole (5851-44-5)

Guidance literature:

With C₁₅H₁₅ClN₇Ru⁽¹⁺⁾*Cl^(1-); sodium tetraphenyl borate; 1,2-bis-(diphenylphosphino)ethane; at 165 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/cctc.201800017

Reference yield: 95.0%

trimethyl orthovalerate (13820-09-2) + 1,2-diamino-benzene (95-54-5) → 2-n-butylbenzimidazole (5851-44-5)

Guidance literature:

With aminosulfonic acid; In methanol; at 20 ℃; for 0.9h;

DOI:10.1007/s00706-006-0566-1

Reference yield: 95.0%

pentanonitrile (110-59-8) + 1,2-diamino-benzene (95-54-5) → 2-n-butylbenzimidazole (5851-44-5)

Guidance literature:

With phosphoric acid; at 150 ℃; for 0.25h; Microwave irradiation;

DOI:10.3987/COM-13-12734

upstream raw materials:

pentanal

1,2-diamino-benzene

pentanonitrile

valeric acid

Downstream raw materials:

2-[5-(2-Butyl-benzoimidazol-1-ylmethyl)-thiophen-2-yl]-benzonitrile

2-[5-(2-Butyl-benzoimidazol-1-ylmethyl)-thiophen-2-yl]-benzoic acid methyl ester

C₂₁H₂₆N₂O₂S

C₂₀H₂₄N₂O₂S

Refernces

• 1、 Jiang, Yansong,Sun, Jing,Yang, Xiaona,Shen, Jieyu,Fu, Yu,Fan, Yong,Xu, Jianing,Wang, Li. "Cd-MOF@PVDF Mixed-Matrix Membrane with Good Catalytic Activity and Recyclability for the Production of Benzimidazole and Amino Acid Derivatives". . p. 2087 - 2096. Retrieved 2021/02/06.
• 2、 Adhikari, Debashis,Bains, Amreen K.,Dey, Dhananjay,Kundu, Abhishek,Yadav, Sudha. "Nickel catalysed construction of benzazoles: Via hydrogen atom transfer reactions". . p. 6495 - 6500. Retrieved 2020/11/13.