tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate
• CAS No.: 1057720-35-0
• Molecular Formula: C₁₂H₁₃BrF₃NO₃
• Molecular Weight: 356.139
• DSSTox Substance ID: DTXSID60697551
• Mol file: 1057720-35-0.mol

Synonyms:1057720-35-0;tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate;tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate;tert-Butyl [2-bromo-4-(trifluoromethoxy)phenyl]carbamate;tert-Butyl(2-bromo-4-(trifluoromethoxy)phenyl)carbamate;DTXSID60697551;CS-0132517;EN300-6201514

Chemical Property of tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 355.00309
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OC(F)(F)F)Br

Technology Process of tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate

There total 1 articles about tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate 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: 81.0%

tert-butyl N-(4-trifluoromethoxyphenyl)carbamate (212696-37-2) → tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate (1057720-35-0)

Guidance literature:

tert-butyl N-(4-trifluoromethoxyphenyl)carbamate; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -50 ℃; for 3h;

With carbon tetrabromide; In tetrahydrofuran; pentane; at -75 ℃; Further stages.;

DOI:10.1016/j.jfluchem.2007.09.003

Reference yield: 87.0%

tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate (1057720-35-0) + propargyl bromide (106-96-7) → tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]-N-(prop-2-ynyl)carbamate (1057720-56-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 25 ℃;

DOI:10.1016/j.jfluchem.2007.09.003

Reference yield: 53.0%

tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]carbamate (1057720-35-0) + 1-Bromo-2-phenylacetylene (932-87-6) → N-(2-bromo-4-trifluoromethoxyphenyl)-N-tert-butoxycarbonylphenylethynylamine (1440672-50-3)

Guidance literature:

With potassium phosphate; 1,10-Phenanthroline; copper(ll) sulfate pentahydrate; In toluene; for 24h; Inert atmosphere; Reflux;

DOI:10.1021/ol4013298

upstream raw materials:

tert-butyl N-(4-trifluoromethoxyphenyl)carbamate

Downstream raw materials:

tert-butyl N-[2-bromo-4-(trifluoromethoxy)phenyl]-N-(prop-2-ynyl)carbamate

N-(2-bromo-4-trifluoromethoxyphenyl)-N-tert-butoxycarbonylphenylethynylamine

Refernces