1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene

Base Information

Chemical Name:1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene
CAS No.:76954-05-7
Molecular Formula:C10H10BrF3
Molecular Weight:267.089
Hs Code.:
DSSTox Substance ID:DTXSID50541453

Synonyms:1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene;76954-05-7;DTXSID50541453

Suppliers and Price of 1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:265.99180
Heavy Atom Count:14
Complexity:194

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(C)(C(F)(F)F)Br

Technology Process of 1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene

There total 3 articles about 1-(2-Bromo-1,1,1-trifluoropropan-2-yl)-4-methylbenzene 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: 86.0%

: 76953-97-4
1-(4-methylphenyl)-1-(trifluoromethyl)ethanol

: 76954-05-7
1-(4-methylphenyl)-1-(trifluoromethyl)ethyl bromide

Guidance literature:: With phosphorus tribromide; RT, 30 min, 40 deg C, 2 h;
DOI:10.1021/ja00365a038

Reference yield:

: 106-38-7
para-bromotoluene

: 76954-05-7
1-(4-methylphenyl)-1-(trifluoromethyl)ethyl bromide

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / 1.) Mg / 1.) ether, RT, 2 h, 2.) RT, overnight

2: 86 percent / PBr₃ / RT, 30 min, 40 deg C, 2 h

With phosphorus tribromide; magnesium;
DOI:10.1021/ja00365a038