tert-butyl 1H-benzo[d]imidazol-2-ylcarbamate

Base Information

• Chemical Name: tert-butyl 1H-benzo[d]imidazol-2-ylcarbamate
• CAS No.: 77474-99-8
• Molecular Formula: C₁₂H₁₅N₃O₂
• Molecular Weight: 233.27
• DSSTox Substance ID: DTXSID40475016
• Nikkaji Number: J2.348.859K
• Wikidata: Q82305232
• Mol file: 77474-99-8.mol

Synonyms:77474-99-8;tert-butyl 1H-benzo[d]imidazol-2-ylcarbamate;tert-butyl N-(1H-benzimidazol-2-yl)carbamate;SCHEMBL13609711;DTXSID40475016;Carbamic acid, 1H-benzimidazol-2-yl-, 1,1-dimethylethyl ester;CDA47499;MFCD18366684;AKOS012873489;AS-49554;t-Butyl 1H-benzo[d]imidazol-2-ylcarbamate;tert-butyl1H-benzo[d]imidazol-2-ylcarbamate;I11651;N-(tert-Butoxycarbonyl)-1H-benzoimidazole-2-amine;TERT-BUTYL N-(1H-1,3-BENZODIAZOL-2-YL)CARBAMATE

Chemical Property of tert-butyl 1H-benzo[d]imidazol-2-ylcarbamate

Chemical Property:

• Melting Point: 196-197 °C
• PKA: 11.13±0.10(Predicted)
• PSA: 70.50000
• Density: 1.267±0.06 g/cm3(Predicted)
• LogP: 2.92350
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.116426730
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl1H-benzo[d]imidazol-2-ylcarbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=NC2=CC=CC=C2N1

Technology Process of tert-butyl 1H-benzo[d]imidazol-2-ylcarbamate

There total 4 articles about tert-butyl 1H-benzo[d]imidazol-2-ylcarbamate 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-benzimidazol-2-amine (934-32-7) + di-tert-butyl dicarbonate (24424-99-5) → (1H-benzoimidazol-2-yl)carbamic acid tert-butyl ester (77474-99-8)

Guidance literature:

With poly(4-vinylpyridine); at 20 ℃; for 0.0333333h;

DOI:10.1007/s13738-011-0060-5

Reference yield: 81.0%

t-butylcarboxy imidoyl dichloride (29427-57-4) + 1,2-diamino-benzene (95-54-5) → (1H-benzoimidazol-2-yl)carbamic acid tert-butyl ester (77474-99-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2015.09.076

Reference yield: 4.0%

2-benzyl-1,3-bis(tert-butoxycarbonyl)-isothiourea (302912-11-4) + 1,2-diamino-benzene (95-54-5) → (1H-benzoimidazol-2-yl)carbamic acid tert-butyl ester (77474-99-8)

Guidance literature:

In methanol; for 10h; Heating;

upstream raw materials:

1H-benzimidazol-2-amine

di-tert-butyl dicarbonate

2-benzyl-1,3-bis(tert-butoxycarbonyl)-isothiourea

1,2-diamino-benzene

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