1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride

Base Information

• Chemical Name: 1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride
• CAS No.: 82830-36-2
• Molecular Formula: C₁₁H₁₁ClN₂*ClH
• Molecular Weight: 243.136
• European Community (EC) Number: 831-006-9
• Mol file: 82830-36-2.mol

Synonyms:1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride;82830-36-2;1-benzyl-5-(chloromethyl)imidazole;hydrochloride;SCHEMBL2105091;AZQDQUXLNZEVCS-UHFFFAOYSA-N;MFCD13186112;AKOS026729613;BS-40745;EN300-157596;1-benzyl-5-chloromethyl-1H-imidazole hydrochloride

Chemical Property of 1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 242.0377538
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

1-Benzyl-5-(chloromethyl)-1H-imidazole hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC=C2CCl.Cl

Technology Process of 1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride

There total 13 articles about 1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride 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: 99.0%

1-benzyl-5-hydroxymethylimidazole (80304-50-3) → 1-Benzyl-5-(chloromethyl)-1H-imidazolium chloride (82830-36-2)

Guidance literature:

With thionyl chloride; for 0.333333h; Heating;

DOI:10.1002/recl.19941130603

Reference yield:

ethyl 1-benzyl-2-ethylthio-5-imidazole carboxylate → 1-Benzyl-5-(chloromethyl)-1H-imidazolium chloride (82830-36-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium thioethylate / N,N-dimethyl-formamide / Reflux

2.1: sodium nitrite; nitric acid / water / 0.5 h

2.2: Heating

3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2.75 h / Inert atmosphere

4.1: thionyl chloride / 3 h / Reflux

With lithium aluminium tetrahydride; thionyl chloride; nitric acid; sodium nitrite; sodium thioethylate; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.3390/molecules19011023

Reference yield:

ethyl 1-benzyl-1H-imidazole-5-carboxylic acid (76075-21-3) → 1-Benzyl-5-(chloromethyl)-1H-imidazolium chloride (82830-36-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2.75 h / Inert atmosphere

2: thionyl chloride / 3 h / Reflux

With lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran;

DOI:10.3390/molecules19011023

upstream raw materials:

1-benzyl-5-hydroxymethylimidazole

N-((E)-3-phenylallylidene)benzylamine

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

1-Benzyl-5-(2-phenylethenyl)-1H-imidazole

Downstream raw materials:

(2S,5R)-2-<(1-Benzylimidazol-5-yl)methyl>-2,5-dihydro-3,6-dimethoxy-5-isopropylpyrazine

2-(1-benzyl-1H-imidazol-5-yl)acetonitrile