1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole

Base Information

• Chemical Name: 1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole
• CAS No.: 81403-81-8
• Molecular Formula: C₁₉H₁₈N₂O₂
• Molecular Weight: 306.364
• ChEMBL ID: CHEMBL161403
• DSSTox Substance ID: DTXSID501146177
• Mol file: 81403-81-8.mol

Synonyms:1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole;CHEMBL161403;SCHEMBL11160906;CBOZFUUOUBOVHZ-UHFFFAOYSA-N;DTXSID501146177;81403-81-8;2-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-(phenylmethyl)-1H-imidazole

Chemical Property of 1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 306.136827821
• Heavy Atom Count: 23
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2O1)CC3=NC=CN3CC4=CC=CC=C4

Technology Process of 1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole

There total 5 articles about 1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)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:

2-(1,4-benzodioxan-2-ylmethyl)-imidazole → 1-benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole (81403-81-8)

Guidance literature:

In N-methyl-acetamide; methanolic hydrochloric acid; benzyl bromide;

Reference yield:

2-<(1,4-benzodioxan-2-yl)methyl>imidazole hydrochloride (81167-19-3) → 1-benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole (81403-81-8)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) DMF, RT, 30 min, 2.) DMF, RT, 30 min;

DOI:10.1021/jm00348a012

Reference yield:

2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (18505-91-4) → 1-benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole (81403-81-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / HCl gas / 96 h / 5 °C

2: 2.) 4 N HCl / 1.) reflux, 18 h, 2.) 60 deg C, 24 h

3: 1.) NaH / 1.) DMF, RT, 30 min, 2.) DMF, RT, 30 min

With hydrogenchloride; sodium hydride;

DOI:10.1021/jm00348a012

upstream raw materials:

2-<(1,4-benzodioxan-2-yl)methyl>imidazole hydrochloride

2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile

ethyl (1,4-benzodioxan-2-yl)acetimidate hydrochloride