tert-Butyl 1H-benzo[d]imidazole-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 1H-benzo[d]imidazole-1-carboxylate
• CAS No.: 127119-07-7
• Molecular Formula: C12H14N2O2
• Molecular Weight: 218.25200
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20560898
• Nikkaji Number: J2.369.618E
• Wikidata: Q82444534
• Mol file: 127119-07-7.mol

Synonyms:127119-07-7;tert-Butyl 1H-benzo[d]imidazole-1-carboxylate;tert-Butyl benzo[d]imidazole-1-carboxylate;tert-butyl benzimidazole-1-carboxylate;1H-Benzimidazole-1-carboxylic acid, 1,1-dimethylethyl ester;tert-butyl 1H-1,3-benzodiazole-1-carboxylate;1-Boc-Benzimidazole;tert-Butyl 1H-benzimidazole-1-carboxylate;1-Boc-benzo[d]imidazole;tert-Butyl1H-benzo[d]imidazole-1-carboxylate;SCHEMBL135567;DTXSID20560898;CFA11907;MFCD13176729;AKOS015854182;BS-20557;CS-0211767;A889293

Chemical Property of tert-Butyl 1H-benzo[d]imidazole-1-carboxylate

Chemical Property:

• PSA: 44.12000
• LogP: 2.81950
• Storage Temp.: Room temperature.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl1H-Benzo[d]imidazole-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C=NC2=CC=CC=C21

Technology Process of tert-Butyl 1H-benzo[d]imidazole-1-carboxylate

There total 3 articles about tert-Butyl 1H-benzo[d]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: 98.0%

benzoimidazole (51-17-2,79351-71-6) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 1H-benzo[d]imidazole-1-carboxylate (127119-07-7)

Guidance literature:

With sulfonic-acid-functionalized silica; In dichloromethane; acetonitrile; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2006.08.093

Reference yield: 53.0%

tert-butyl 2-mercapto-1H-benzo-[d]-imidazole-1-carboxylate → tert-butyl 1H-benzo[d]imidazole-1-carboxylate (127119-07-7)

Guidance literature:

With rose bengal; water; oxygen; sodium chloride; In N,N-dimethyl-formamide; at 25 ℃; for 48h; Irradiation; Green chemistry;

DOI:10.1039/d0gc02269a

Reference yield:

→ tert-butyl 1H-benzo[d]imidazole-1-carboxylate (127119-07-7)

Guidance literature:

upstream raw materials:

benzoimidazole

di-tert-butyl dicarbonate