Carbamic acid, N,N-dibromo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Carbamic acid, N,N-dibromo-, 1,1-dimethylethyl ester
• CAS No.: 358365-86-3
• Molecular Formula: C5H9Br2NO2
• Molecular Weight: 274.93800
• DSSTox Substance ID: DTXSID201282293
• Nikkaji Number: J1.929.919H
• Mol file: 358365-86-3.mol

Synonyms:358365-86-3;Carbamic acid, N,N-dibromo-, 1,1-dimethylethyl ester;Tert-butyl N,N-dibromocarbamate;t-Butyl dibromocarbamate;t-Butyl dibromocarbamate, 95%;TERT-BUTYL DIBROMOCARBAMATE;DTXSID201282293;MFCD24393130;AT20460;1,1-Dimethylethyl N,N-dibromocarbamate

Chemical Property of Carbamic acid, N,N-dibromo-, 1,1-dimethylethyl ester

Chemical Property:

• PSA: 29.54000
• LogP: 2.84330
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.89795
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(Br)Br

Technology Process of Carbamic acid, N,N-dibromo-, 1,1-dimethylethyl ester

There total 1 articles about Carbamic acid, N,N-dibromo-, 1,1-dimethylethyl ester 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: 90.0%

tert-butyl carbazate (4248-19-5) → N-bromo-tert-butoxycarboxamide (475977-63-0) + tert-butyl N,N-dibromocarbamate (358365-86-3)

Guidance literature:

With bromine; potassium carbonate; In water; at 20 ℃; for 2h;

DOI:10.1016/S0040-4039(01)00662-1

Reference yield: 99.0%

4-fluoro-β-nitrostyrene (5153-69-5,706-08-1) + tert-butyl N,N-dibromocarbamate (358365-86-3) → 1-(tert-butoxyformamido)-2,2-dibromo-1-(4-fluorophenyl)-2-nitroethane (1420743-02-7)

Guidance literature:

With potassium phosphate tribasic trihydrate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jo302727v

Reference yield: 98.0%

1-fluoro-3-(2-nitrovinyl)benzene (1979-49-3,705-84-0) + tert-butyl N,N-dibromocarbamate (358365-86-3) → 1-(tert-butoxyformamido)-2,2-dibromo-1-(3-fluorophenyl)-2-nitroethane (1420743-10-7)

Guidance literature:

With potassium phosphate tribasic trihydrate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jo302727v

upstream raw materials:

tert-butyl carbazate

Downstream raw materials:

C₁₃H₁₇Br₂NO₂

C₁₄H₁₉Br₂NO₂

5-phenyloxazolidin-2-one

N-Boc-2-bromo-2-phenylethylamine