1-Benzyl-5-methylimidazole

Base Information

• Chemical Name: 1-Benzyl-5-methylimidazole
• CAS No.: 52726-21-3
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• NSC Number: 195971
• DSSTox Substance ID: DTXSID20307866
• Wikidata: Q82055448
• Mol file: 52726-21-3.mol

Synonyms:1-Benzyl-5-methylimidazole;52726-21-3;NSC195971;SCHEMBL6496747;1-Benzyl-5-methyl-1H-imidazole;DTXSID20307866;BUKITYALZCIHTM-UHFFFAOYSA-N;1-Benzyl-5-methyl-1H-imidazole #;NSC-195971

Chemical Property of 1-Benzyl-5-methylimidazole

Chemical Property:

• Vapor Pressure: 0.000387mmHg at 25°C
• Boiling Point: 327.4°Cat760mmHg
• Flash Point: 151.8°C
• Density: 1.03g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=CN1CC2=CC=CC=C2

Technology Process of 1-Benzyl-5-methylimidazole

There total 7 articles about 1-Benzyl-5-methylimidazole 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: 55.0%

1-(quinazolin-4(3H)-on-3-yl)-propan-2-one (5632-37-1) + benzylamine (100-46-9) → 5-methyl-1-(phenylmethyl)imidazole (52726-21-3) + 2-amino-N-benzylbenzamide (5471-20-5)

Guidance literature:

With toluene-4-sulfonic acid; In xylene; for 12h; Heating;

DOI:10.1016/S0040-4020(01)87289-6

Reference yield: 30.0%

1-acetonyl-9-benzylhypoxanthine (110287-91-7) + benzylamine (100-46-9) → 1-benzyl-5-aminoimidazole-4-carboxylic acid benzylamide (7026-49-5) + 5-methyl-1-(phenylmethyl)imidazole (52726-21-3)

Guidance literature:

With toluene-4-sulfonic acid; In xylene; for 12h; Heating;

DOI:10.1016/S0040-4020(01)87289-6

Reference yield:

4-methyl-1H-imidazole (822-36-6) + benzyl bromide (100-39-0) → 5-methyl-1-(phenylmethyl)imidazole (52726-21-3) + 1-benzyl-4-methyl-1H-imidazole

Guidance literature:

With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) DMSO, 80 deg C, 2 h, 2.) DMSO, 80 deg C, overnight;

DOI:10.3987/COM-92-S49

upstream raw materials:

4-methyl-1H-imidazole

benzyl bromide

1-(quinazolin-4(3H)-on-3-yl)-propan-2-one

benzylamine

Downstream raw materials:

1-benzyl-5-hydroxymethylimidazole

1-benzyl-1H-imidazole-5-carboxaldehyde

C₁₀H₁₁NO₂

2,4-dibromo-5-methyl-1-(phenylmethyl)imidazole