1-(2-(Chloromethyl)phenyl)-1H-imidazole

Base Information

• Chemical Name: 1-(2-(Chloromethyl)phenyl)-1H-imidazole
• CAS No.: 117296-93-2
• Molecular Formula: C10H9ClN2
• Molecular Weight: 192.64486
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID20560595
• Wikidata: Q82444038
• Mol file: 117296-93-2.mol

Synonyms:1-(2-(Chloromethyl)phenyl)-1H-imidazole;117296-93-2;1-[2-(CHLOROMETHYL)PHENYL]IMIDAZOLE;1-[2-(Chloromethyl)phenyl]-1H-imidazole;DTXSID20560595;A893402

Chemical Property of 1-(2-(Chloromethyl)phenyl)-1H-imidazole

Chemical Property:

• Boiling Point: 354.6±25.0 °C(Predicted)
• PKA: 5.33±0.10(Predicted)
• PSA: 17.82000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 2.61110
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.0454260
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

1-(2-(Chloromethyl)phenyl)-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCl)N2C=CN=C2

Technology Process of 1-(2-(Chloromethyl)phenyl)-1H-imidazole

There total 3 articles about 1-(2-(Chloromethyl)phenyl)-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:

(2-imidazol-1-yl-phenyl)-methanol (25373-56-2) → 1-(2-Chloromethyl-phenyl)-1H-imidazole (117296-93-2)

Guidance literature:

With thionyl chloride; In chloroform;

DOI:10.1021/jm950610n

Reference yield:

methyl 2-fluorobenzoate (394-35-4) → 1-(2-Chloromethyl-phenyl)-1H-imidazole (117296-93-2)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide / Ambient temperature

2: LiAlH₄ / tetrahydrofuran

3: SOCl₂ / CHCl₃

With lithium aluminium tetrahydride; thionyl chloride; potassium carbonate; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm950610n

Reference yield:

2-Imidazol-1-yl-benzoic acid methyl ester (246046-82-2) → 1-(2-Chloromethyl-phenyl)-1H-imidazole (117296-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran

2: SOCl₂ / CHCl₃

With lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; chloroform;

DOI:10.1021/jm950610n

upstream raw materials:

(2-imidazol-1-yl-phenyl)-methanol

methyl 2-fluorobenzoate

2-Imidazol-1-yl-benzoic acid methyl ester

Downstream raw materials:

2-[2-(2-Imidazol-1-yl-benzylsulfanyl)-imidazol-1-yl]-pyridine

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