1H-Imidazole, 2-butyl-1-[(2-chlorophenyl)methyl]-

Base Information

• Chemical Name: 1H-Imidazole, 2-butyl-1-[(2-chlorophenyl)methyl]-
• CAS No.: 133485-54-8
• Molecular Formula: C14H17ClN2
• Molecular Weight: 248.755
• DSSTox Substance ID: DTXSID50438970
• Wikidata: Q82254825

Synonyms:133485-54-8;1H-Imidazole, 2-butyl-1-[(2-chlorophenyl)methyl]-;SCHEMBL6959787;DTXSID50438970;QDIAKNVAAGSOEB-UHFFFAOYSA-N;2n-butyl-1-(2chlorophenyl)methyl-1H-imidazole;2n-butyl-1-(2-chlorophenyl)methyl-1H-imidazole;2-n-butyl-1-(2-chlorophenyl)methyl-1H-imidazole;2-n-butyl-l-(2-chlorophenyl)methyl-1H-imidazole;2-n- butyl-1-(2-chlorophenyl)methyl-1H-imidazole;2-n-butyl-1-(2-chloro-phenyl)methyl-1H-imidazole

Chemical Property of 1H-Imidazole, 2-butyl-1-[(2-chlorophenyl)methyl]-

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 248.1080262
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC=CN1CC2=CC=CC=C2Cl

Technology Process of 1H-Imidazole, 2-butyl-1-[(2-chlorophenyl)methyl]-

There total 4 articles about 1H-Imidazole, 2-butyl-1-[(2-chlorophenyl)methyl]- 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:

1H-imidazole (288-32-4) + 2-butyl-1H-imidazole (50790-93-7) + 1-diethoxyorthoamide imidazole + 1-iodo-butane (542-69-8) + orthoformic acid triethyl ester (122-51-0) → 2-n-butyl-1-(2-chlorophenyl)-methyl-1H-imidazole (133485-54-8)

Guidance literature:

With n-butyllithium; sodium methylate; In tetrahydrofuran; methanol; hexane; toluene-4-sulfonic acid;

Reference yield:

2-butyl-1H-imidazole (50790-93-7) → 2-n-butyl-1-(2-chlorophenyl)-methyl-1H-imidazole (133485-54-8)

Guidance literature:

With sodium methylate; In methanol;

Reference yield:

2-butyl-1H-imidazole (50790-93-7) + 1-chloro-2-(chloromethyl)benzene (611-19-8) → 2-n-butyl-1-(2-chlorophenyl)-methyl-1H-imidazole (133485-54-8)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, RT, 80 min, 2.) DMF, 2,5 h;

DOI:10.1021/jm00099a013

upstream raw materials:

2-butyl-1H-imidazole

1-chloro-2-(chloromethyl)benzene

1H-imidazole

1-iodo-butane

Downstream raw materials:

4-<2-butyl-1-<(2-chlorophenyl)methyl>imidazol-5-yl>butanoic acid hydrochloride

4-[2-Butyl-3-(2-chloro-benzyl)-3H-imidazol-4-yl]-butyric acid methyl ester

methyl (E)-3-<2-butyl-1-<(2-chlorophenyl)methyl>imidazol-5-yl>-3-butenoate

2-butyl-1-<(2-chlorophenyl)methyl>-4-bromoimidazole

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