4-(Chloromethyl)-1-trityl-1H-imidazole

Base Information

• Chemical Name: 4-(Chloromethyl)-1-trityl-1H-imidazole
• CAS No.: 103057-10-9
• Molecular Formula: C23H19ClN2
• Molecular Weight: 358.87
• Hs Code.: 2933290090
• European Community (EC) Number: 672-878-9
• DSSTox Substance ID: DTXSID10376788
• Nikkaji Number: J1.626.191B
• Wikidata: Q82165709
• Mol file: 103057-10-9.mol

Synonyms:4-(Chloromethyl)-1-trityl-1H-imidazole;103057-10-9;4-(chloromethyl)-1-tritylimidazole;5-CHLOROMETHYL-1-METHYL-1H-IMIDAZOLE HCL;4-(CHLOROMETHYL)-1-(TRIPHENYLMETHYL)-1H-IMIDAZOLE;C23H19ClN2;SCHEMBL759;4-chloromethyl-1-tritylimidazole;DTXSID10376788;1-trityl-4-chloromethyl-imidazole;ADCUCAMWCWNHJA-UHFFFAOYSA-N;MFCD06660115;4-chloromethyl-1-trityl-1H-imidazole;AKOS015850528;AB26688;DS-9990;1-triphenylmethyl-4-chloromethylimidazole;1-Trityl-4-(chloromethyl)-1H-imidazole;4-Chloromethyl-1-triphenylmethylimidazole;FT-0685137;(1-triphenylmethylimidazol-4-yl)methyl chloride;H11608;W-204477

Chemical Property of 4-(Chloromethyl)-1-trityl-1H-imidazole

Chemical Property:

• Vapor Pressure: 9.08E-10mmHg at 25°C
• Melting Point: 139-141 °C
• Boiling Point: 503.4oC at 760 mmHg
• PKA: 5.28±0.70(Predicted)
• Flash Point: 258.3oC
• PSA: 17.82000
• Density: 1.12g/cm3
• LogP: 5.46210
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 358.1236763
• Heavy Atom Count: 26
• Complexity: 376

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CCl

Technology Process of 4-(Chloromethyl)-1-trityl-1H-imidazole

There total 4 articles about 4-(Chloromethyl)-1-trityl-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: 99.0%

4-(hydroxymethyl)-1-(triphenylmethyl)imidazole (33769-07-2) → 4-chloromethyl-1-tritylimidazole (103057-10-9)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.bioorg.2021.104739

Reference yield:

trityl chloride (76-83-5) → 4-chloromethyl-1-tritylimidazole (103057-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dimethylformamide

2: 80 percent / SOCl₂ / dimethylformamide; CH₂Cl₂ / 0.25 h / 0 °C

With thionyl chloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1039/b517572k

Reference yield:

trityl chloride (76-83-5) → 4-chloromethyl-1-tritylimidazole (103057-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / CH₂Cl₂ / 18 h / 20 °C

2: 81 percent / SOCl₂ / CH₂Cl₂ / 0 - 20 °C

With thionyl chloride; In dichloromethane;

DOI:10.1021/jm010297r

upstream raw materials:

4-(hydroxymethyl)-1-(triphenylmethyl)imidazole

trityl chloride

Downstream raw materials:

4-<2-phenyl-2-(4-pyridinyl)ethyl>-1-tritylimidazole

2-[1-Phenyl-2-(1-trityl-1H-imidazol-4-yl)-ethyl]-pyridine