4-(Chloromethyl)-1h-imidazole

Base Information

• Chemical Name: 4-(Chloromethyl)-1h-imidazole
• CAS No.: 23785-22-0
• Molecular Formula: C4H5ClN2
• Molecular Weight: 116.55
• European Community (EC) Number: 672-916-4
• NSC Number: 176148
• DSSTox Substance ID: DTXSID70276912
• Nikkaji Number: J238.906A
• Wikidata: Q72454062
• Mol file: 23785-22-0.mol

Synonyms:4-(chloromethyl)-1h-imidazole;23785-22-0;5-(chloromethyl)-1H-imidazole;4-CHLOROMETHYLIMIDAZOLE;5-(chloromethyl)-imidazole;5-chloromethyl-1H-imidazole;NCIOpen2_001005;SCHEMBL1422119;DTXSID70276912;MFCD08059940;NSC176148;AKOS012409730;AB43165;NSC 176148;NSC-176148;AC-27295;FT-0685289;EN300-1966342

Chemical Property of 4-(Chloromethyl)-1h-imidazole

Chemical Property:

• Vapor Pressure: 0.000355mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 328.761 °C at 760 mmHg
• PKA: 13.04±0.10(Predicted)
• Flash Point: 182.63 °C
• PSA: 28.68000
• Density: 1.314 g/cm³
• LogP: 1.95050
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 116.0141259
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

4-(Chloromethyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)CCl

Technology Process of 4-(Chloromethyl)-1h-imidazole

There total 5 articles about 4-(Chloromethyl)-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: 93.0%

(1H-imidazol-4-yl)methanol (822-55-9) → 4-chloromethylimidazole (23785-22-0)

Guidance literature:

With thionyl chloride; In toluene; for 1.5h; Heating / reflux;

Reference yield:

4-hydroxymethyl-1H-imidazole hydrochloride (32673-41-9) → 4-chloromethylimidazole (23785-22-0)

Guidance literature:

With thionyl chloride;

Reference yield:

1H-imidazole-5-methanol (822-55-9) → 5-(chloromethyl)-1 H-imidazole (23785-22-0)

Guidance literature:

With thionyl chloride;

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

upstream raw materials:

4-hydroxymethyl-1H-imidazole hydrochloride

4⁽⁵⁾-hydroxymethylimidazole picrate

(1H-imidazol-4-yl)methanol

1H-imidazole-5-methanol

Downstream raw materials:

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

(5R,6S)-6-((R)-1-Hydroxy-ethyl)-3-(1H-imidazol-4-ylmethylsulfanyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

(5R,6R)-6-Ethyl-3-(1H-imidazol-4-ylmethylsulfanyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

3-(1H-Imidazol-4-yl)-2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propionic acid ethyl ester