2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate

Base Information

• Chemical Name: 2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate
• CAS No.: 70737-50-7
• Molecular Formula: C₆H₅Cl₃N₂O₂
• Molecular Weight: 243.477
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90513679
• Wikidata: Q82373606
• Mol file: 70737-50-7.mol

Synonyms:70737-50-7;2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate;1-(2,2,2-Trichloroethoxycarbonyl)-1H-imidazole;2,2,2-trichloroethyl imidazole-1-carboxylate;SCHEMBL11325453;DTXSID90513679;VCA73750;MFCD18783167;AKOS015907896;BS-24399;CS-0212516;2,2,2-Trichloroethyl1H-imidazole-1-carboxylate;A866550

Chemical Property of 2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate

Chemical Property:

• PSA: 44.12000
• LogP: 2.23800
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.941660
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)C(=O)OCC(Cl)(Cl)Cl

Technology Process of 2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate

There total 2 articles about 2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate 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: 96.0%

1H-imidazole (288-32-4) + 2,2,2-Trichloroethyl chloroformate (17341-93-4) → 1-(2,2,2-trichloroethoxycarbonyl)imidazole (70737-50-7)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1039/P19810002168

Reference yield:

1,1,1-trichloroethanol (115-20-8) + 1,1'-carbonyldiimidazole (530-62-1) → 1-(2,2,2-trichloroethoxycarbonyl)imidazole (70737-50-7)

Guidance literature:

In chloroform;

DOI:10.1016/S0040-4039(00)87275-5

Reference yield: 56.0%

1-(2,2,2-trichloroethoxycarbonyl)imidazole (70737-50-7) + 3,2',6'-tris-N-(2,2,2-trichloroethoxycarbonyl)gentamicin C1a (66065-87-0) → 3''-N,4''-O-carbonyl-3,2',6'-tris-N-(2,2,2-trichloroethoxycarbonyl)gentamicin C1a (70737-49-4)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1039/P19810002168

upstream raw materials:

1H-imidazole

2,2,2-Trichloroethyl chloroformate

1,1,1-trichloroethanol

1,1'-carbonyldiimidazole

Downstream raw materials:

3''-N,4''-O-carbonyl-3,2',6'-tris-N-(2,2,2-trichloroethoxycarbonyl)gentamicin C_1a