2-(chloromethyl)-1-methyl-1H-imidazole

Base Information

• Chemical Name: 2-(chloromethyl)-1-methyl-1H-imidazole
• CAS No.: 19225-92-4
• Molecular Formula: C5H7ClN2
• Molecular Weight: 130.577
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00353063
• Nikkaji Number: J1.907.710A
• Wikidata: Q72489304
• Mol file: 19225-92-4.mol

Synonyms:2-(chloromethyl)-1-methyl-1H-imidazole;19225-92-4;2-(chloromethyl)-1-methylimidazole;1h-imidazole, 2-(chloromethyl)-1-methyl-;2-chloromethyl-1-methylimidazole;2-Chloromethyl-1-methyl-1H-imidazole;MFCD00234119;1H-Imidazole,2-(chloromethyl)-1-methyl-;SCHEMBL1427464;DTXSID00353063;VYEGAEUUQMJXTM-UHFFFAOYSA-N;1-Methyl-2-(chloromethyl)imidazole;CS-D0317;2-chloro methyl -1-methyl-imidazole;STK689434;AKOS000269787;KB-0715;AC-28885;AM100451;SY110045;5-METHOXY-1-INDANONE-3-ACETICACID;BB 0219791;FT-0681151;AC-907/25004454;J-506283

Chemical Property of 2-(chloromethyl)-1-methyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.0493mmHg at 25°C
• Melting Point: 182-184 °C
• Refractive Index: 1.55
• Boiling Point: 243.7 °C at 760 mmHg
• Flash Point: 101.2 °C
• PSA: 17.82000
• Density: 1.2 g/cm³
• LogP: 1.15890
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 130.0297759
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1CCl

Technology Process of 2-(chloromethyl)-1-methyl-1H-imidazole

There total 2 articles about 2-(chloromethyl)-1-methyl-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: 100.0%

1-methyl-2-hydroxymethylimidazole (17334-08-6) → 2-chloromethyl-1-methylimidazole (19225-92-4)

Guidance literature:

With thionyl chloride; at 0 - 70 ℃; for 20h;

Reference yield:

1-methyl-1H-imidazole (616-47-7) + 1-methyl-2-hydroxymethylimidazole (17334-08-6) → 2-chloromethyl-1-methylimidazole (19225-92-4)

Guidance literature:

With formaldehyd; thionyl chloride; In tetrachloromethane; chloroform;

Reference yield: 72.0%

2-chloromethyl-1-methylimidazole (19225-92-4) + 4-(benzylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2(1H)-one → 4-(benzylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-[(1-methyl-1H-imidazol-2-yl)methyl]pyridin-2(1H)-one

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

upstream raw materials:

1-methyl-2-hydroxymethylimidazole

1-methyl-1H-imidazole

Downstream raw materials:

1,2-dimethyl-1H-imidazole

4-(1-Methyl-1H-imidazol-2-ylmethoxy)-benzaldehyde

1-methyl-2-hydroxymethylimidazole

Dithiophosphoric acid O-[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl] ester O'-(2-cyano-ethyl) ester S-(1-methyl-1H-imidazol-2-ylmethyl) ester

Refernces

• 1、 -. "2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG". Paragraph 00802. . Retrieved 2016/07/05.
• 2、 -. "IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX". Page/Page column 18. . Retrieved 2008/06/13.