2-(Chloromethyl)-6-methoxy-1h-benzo[d]imidazole

Base Information

• Chemical Name: 2-(Chloromethyl)-6-methoxy-1h-benzo[d]imidazole
• CAS No.: 14625-40-2
• Molecular Formula: C9H9 Cl N2 O
• Molecular Weight: 196.636
• Hs Code.: 2933990090
• European Community (EC) Number: 843-699-5
• Mol file: 14625-40-2.mol

Synonyms:2-(chloromethyl)-6-methoxy-1h-benzo[d]imidazole;14625-40-2;2-(chloromethyl)-6-methoxy-1H-benzimidazole;2-(CHLOROMETHYL)-5-METHOXY-1H-1,3-BENZODIAZOLE;SCHEMBL1054438;WZEWEZMUYDNMCZ-UHFFFAOYSA-N;AKOS005536824;AKOS006287658;AB51130;2-chloromethyl-5-methoxy-1H-benzoimidazole;EN300-733049;2-(CHLOROMETHYL)-5-METHOXY-1H-BENZIMIDAZOLE

Chemical Property of 2-(Chloromethyl)-6-methoxy-1h-benzo[d]imidazole

Chemical Property:

• Boiling Point: 405.4±25.0 °C(Predicted)
• PKA: 11.92±0.10(Predicted)
• PSA: 37.91000
• Density: 1.339±0.06 g/cm3(Predicted)
• LogP: 2.31030
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.0403406
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99%, ^*data from raw suppliers

2-(Chloromethyl)-5-methoxy-1H-benzimidazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(N2)CCl

Technology Process of 2-(Chloromethyl)-6-methoxy-1h-benzo[d]imidazole

There total 4 articles about 2-(Chloromethyl)-6-methoxy-1h-benzo[d]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: 89.0%

(5-methoxy-1H-benzimidazole-2-yl)-methanol (20033-99-2) → 2-(chloromethyl)-5-methoxy-1H-benzimidazole (14625-40-2)

Guidance literature:

With thionyl chloride; In dichloromethane; at 10 ℃; for 3h;

DOI:10.3390/molecules200815206

Reference yield:

chloroacetic acid (79-11-8) + 4-methoxy-1,2-phenylenediamine (102-51-2) → 2-(chloromethyl)-5-methoxy-1H-benzimidazole (14625-40-2)

Guidance literature:

With hydrogenchloride; at 95 ℃; for 12h;

DOI:10.1021/jm030505a

Reference yield:

4-methoxy-1,2-phenylenediamine (102-51-2) → 2-(chloromethyl)-5-methoxy-1H-benzimidazole (14625-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / Reflux

2: thionyl chloride / dichloromethane / 3 h / 10 °C

With hydrogenchloride; thionyl chloride; In dichloromethane; water;

DOI:10.3390/molecules200815206

upstream raw materials:

chloroacetic acid

4-methoxy-1,2-phenylenediamine

(5-methoxy-1H-benzimidazole-2-yl)-methanol

Downstream raw materials:

2-(4-(3-[1,3-dithian-2-yl]-4-nitrobenzyl)piperidin-1-ylmethyl)-5-methoxybenzimidazole

2-[4-(4-⁽¹⁸⁾F-fluorobenzyl)piperidin-1-ylmethyl]benzimidazol-5-ol

2-[4-(4-⁽¹⁸⁾F-fluorobenzyl)piperidin-1-yl]methyl-5-methoxybenzimidazole

[1-(5-methoxybenzimidazol)-2-ylmethylpiperidin-4-yl]-(4-⁽¹⁸⁾F-fluorophenyl)methanone

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