1-(3-phenylpropyl)-1H-imidazole

Base Information

• Chemical Name: 1-(3-phenylpropyl)-1H-imidazole
• CAS No.: 56643-92-6
• Molecular Formula: C12H14N2
• Molecular Weight: 186.257
• UNII: MM36UNV3LH
• DSSTox Substance ID: DTXSID901303800
• Nikkaji Number: J708.458G
• ChEMBL ID: CHEMBL380271
• Mol file: 56643-92-6.mol

Synonyms:1-(3-phenylpropyl)-1H-imidazole;1-(3-phenylpropyl)imidazole;1H-Imidazole, 1-(3-phenylpropyl)-;56643-92-6;MM36UNV3LH;CHEMBL380271;Imidazole, 1-(3-phenylpropyl)-;UNII-MM36UNV3LH;D09TTR;SCHEMBL3160306;DDGQVFKVBFAACE-UHFFFAOYSA-N;DTXSID901303800;BDBM50191796;AKOS009137296;PD178928

Chemical Property of 1-(3-phenylpropyl)-1H-imidazole

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCN2C=CN=C2

Technology Process of 1-(3-phenylpropyl)-1H-imidazole

There total 8 articles about 1-(3-phenylpropyl)-1H-imidazole 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: 98.0%

1H-imidazole (288-32-4) + 1-Bromo-3-phenylpropane (637-59-2) → 1-(3-phenylpropyl)-1H-imidazole (56643-92-6)

Guidance literature:

1H-imidazole; With sodium hydroxide; In dimethyl sulfoxide; at 70 - 80 ℃; for 1.5h;

1-Bromo-3-phenylpropane; In dimethyl sulfoxide; at 70 - 80 ℃; for 13h;

Reference yield: 65.0%

2-bromo-1-(3-phenylpropyl)-1H-imidazole → 1-(3-phenylpropyl)-1H-imidazole (56643-92-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In acetonitrile; Heating;

DOI:10.1039/b512729g

Reference yield: 63.0%

1H-imidazole (288-32-4) + 3-phenylpropanal p-tosylhydrazone (61124-61-6) → 1-(3-phenylpropyl)-1H-imidazole (56643-92-6)

Guidance literature:

With copper acetylacetonate; caesium carbonate; In 1,4-dioxane; at 100 ℃; for 3h; chemoselective reaction; Sealed tube;

DOI:10.1039/c1ob05664f

upstream raw materials:

1-(3-phenyl-propyl)-1,3-dihydro-imidazole-2-thione

1H-imidazole

1-Bromo-3-phenylpropane

3-phenylpropanal p-tosylhydrazone

Downstream raw materials:

1-(1H-imidazol-1-yl)-3-phenylpropane hydrochloride

1-(3-phenylpropyl)imidazole-2-carbaldehyde