1-(3-Butenyl)-1H-benzimidazole

Base Information

• Chemical Name: 1-(3-Butenyl)-1H-benzimidazole
• CAS No.: 108413-26-9
• Molecular Formula: C11H12 N2
• Molecular Weight: 172.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID001300611
• Nikkaji Number: J1.066.546I
• Mol file: 108413-26-9.mol

Synonyms:1-(3-Butenyl)-1H-benzimidazole;1-but-3-enylbenzimidazole;108413-26-9;1H-Benzimidazole,1-(3-butenyl)-(9CI);SCHEMBL9170274;DTXSID001300611;N-(but-3-en-1-yl)-benzimidazole;1-(3-buten-1-yl)-1H-Benzimidazole

Chemical Property of 1-(3-Butenyl)-1H-benzimidazole

Chemical Property:

• PSA: 17.82000
• LogP: 2.61240
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

1-(3-buten-1-yl)-1H-Benzimidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Butenyl)-1H-benzimidazole

There total 5 articles about 1-(3-Butenyl)-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: 92.0%

benzoimidazole (51-17-2,79351-71-6) + 1-bromo-4-butene (5162-44-7) → 1-(but-3-en-1-yl)-1H-benzo[d]imidazole (108413-26-9)

Guidance literature:

benzoimidazole; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 0.25h; Inert atmosphere;

1-bromo-4-butene; In tetrahydrofuran; at 80 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol300755y

Reference yield: 87.0%

C11H12N2S → 1-(but-3-en-1-yl)-1H-benzo[d]imidazole (108413-26-9)

Guidance literature:

With rose bengal; water; oxygen; sodium chloride; In N,N-dimethyl-formamide; at 25 ℃; for 48h; Irradiation; Green chemistry;

DOI:10.1039/d0gc02269a

Reference yield: 84.0%

benzoimidazole (51-17-2,79351-71-6) → 1-(but-3-en-1-yl)-1H-benzo[d]imidazole (108413-26-9)

Guidance literature:

benzoimidazole; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

but-3-en-1-yl halide/methanesulfonate; In tetrahydrofuran; mineral oil; Inert atmosphere; Reflux;

DOI:10.1021/jacs.8b02547

upstream raw materials:

benzoimidazole

1-bromo-4-butene

4-methanesulfonyloxy-1-butene

Downstream raw materials:

3-methyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazole

1,2,3,4-tetrahydro-pyrido[1,2-a]benzimidazole

1-(but-2-en-1-yl)-1H-benzo[d]imidazole

1-crotylbenzimidazole