4-iodo-2-methyl-1-trityl-1H-imidazole

Base Information

• Chemical Name: 4-iodo-2-methyl-1-trityl-1H-imidazole
• CAS No.: 157255-72-6
• Molecular Formula: C23H19IN2
• Molecular Weight: 450.322
• DSSTox Substance ID: DTXSID30449443
• Nikkaji Number: J597.838F
• Wikidata: Q82268908
• Mol file: 157255-72-6.mol

Synonyms:4-iodo-2-methyl-1-trityl-1H-imidazole;157255-72-6;2-Methyl-4-iodo-1-tritylimidazole;1H-Imidazole, 4-iodo-2-methyl-1-(triphenylmethyl)-;4-iodo-2-methyl-1-tritylimidazole;4-iodo-2-methyl-1-(triphenylmethyl)-1H-imidazole;4-Iodo-2-methyl-1-triphenylmethylimidazole;1H-Imidazole,4-iodo-2-methyl-1-(triphenylmethyl)-;SCHEMBL3500675;DTXSID30449443;JSDCLDAMUNBJKV-UHFFFAOYSA-N;BCP07130;MFCD03411213;AKOS015911940;AM81151;DS-12337;CS-0007610;FT-0657126;A809827

Chemical Property of 4-iodo-2-methyl-1-trityl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.646
• Boiling Point: 491.367 °C at 760 mmHg
• PKA: 4.53±0.60(Predicted)
• Flash Point: 250.97 °C
• PSA: 17.82000
• Density: 1.38 g/cm³
• LogP: 5.63630
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 450.05930
• Heavy Atom Count: 26
• Complexity: 390

Purity/Quality:

97% ^*data from raw suppliers

4-Iodo-2-methyl-1-trityl-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I

Technology Process of 4-iodo-2-methyl-1-trityl-1H-imidazole

There total 2 articles about 4-iodo-2-methyl-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: 70.0%

4-iodo-2-methyl-1H-imidazole (73746-45-9) + trityl chloride (76-83-5) → 4-iodo-2-methyl-1-triphenylmethylimidazole (157255-72-6)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide;

DOI:10.1039/c1cc14716a

Reference yield: 47.0%

4(5)-iodo-2-methyl-1H-imidazole (73746-45-9) + trityl chloride (76-83-5) → 4-iodo-2-methyl-1-triphenylmethylimidazole (157255-72-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 3h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.5b01390

Reference yield: 80.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-iodo-2-methyl-1-triphenylmethylimidazole (157255-72-6) → 1-trityl-2-methyl-1H-imidazole-4-carbaldehyde

Guidance literature:

4-iodo-2-methyl-1-triphenylmethylimidazole; With ethylmagnesium bromide; In diethyl ether; dichloromethane; at 20 ℃; for 4h;

N,N-dimethyl-formamide; In diethyl ether; dichloromethane;

DOI:10.1039/c1cc14716a

upstream raw materials:

4-iodo-2-methyl-1H-imidazole

trityl chloride

4⁽⁵⁾-iodo-2-methyl-1H-imidazole

Downstream raw materials:

(2-methyl-1-trityl-1H-imidazol-4-yl)-(1-trifluoromethyl-cyclopropyl)-methanone

2-methyl-4-{[1-(trifluoromethyl)cyclopropyl]methyl}-1-trityl-1H-imidazole

C₃₉H₃₂F₆N₄O