(alphaS)-2-Bromo-alpha-(trifluoromethyl)benzenemethanol

Base Information

Chemical Name:(alphaS)-2-Bromo-alpha-(trifluoromethyl)benzenemethanol
CAS No.:244229-36-5
Molecular Formula:C₈H₆BrF₃O
Molecular Weight:255.034
Hs Code.:
DSSTox Substance ID:DTXSID001244918
Nikkaji Number:J1.869.457C

Synonyms:244229-36-5;DTXSID001244918;EN300-1932664;(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethan-1-ol

Suppliers and Price of (alphaS)-2-Bromo-alpha-(trifluoromethyl)benzenemethanol

Supply Marketing:

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

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Chemical Property of (alphaS)-2-Bromo-alpha-(trifluoromethyl)benzenemethanol

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:253.95541
Heavy Atom Count:13
Complexity:171

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(C(F)(F)F)O)Br
Isomeric SMILES:C1=CC=C(C(=C1)[C@@H](C(F)(F)F)O)Br

Technology Process of (alphaS)-2-Bromo-alpha-(trifluoromethyl)benzenemethanol

There total 3 articles about (alphaS)-2-Bromo-alpha-(trifluoromethyl)benzenemethanol 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: 99.0%

: 244229-34-3
1-(2-bromophenyl)-2,2,2-trifluoroethan-1-one

: 244229-36-5
(S)-2,2,2-trifluoro-1-(2-bromophenyl)ethanol

: 244229-38-7
(R)-2,2,2-trifluoro-1-(2-bromophenyl)ethanol

Guidance literature:: With benzo[1,3,2]dioxaborole; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole;
DOI:10.1016/S0040-4039(99)01083-7

Reference yield: 98.0%

: 244229-34-3
1-(2-bromophenyl)-2,2,2-trifluoroethan-1-one

: 244229-36-5
(S)-2,2,2-trifluoro-1-(2-bromophenyl)ethanol

Guidance literature:: With Evo-1.1.200; nicotinamide adenine dinucleotide; magnesium chloride; In isopropyl alcohol; at 30 ℃; for 50h; pH=7.5; stereoselective reaction; Enzymatic reaction;
DOI:10.1002/cctc.201901351

Reference yield:

: 583-53-9
2,3-dibromobenzene

: 244229-36-5
(S)-2,2,2-trifluoro-1-(2-bromophenyl)ethanol

Guidance literature:: Multi-step reaction with 2 steps

1: BuLi / -110 °C

2: catecholborane / (S)-2-methyl-5,5-diphenyl-3,4-propano-1,2,3-oxazaborolidine

With n-butyllithium; benzo[1,3,2]dioxaborole; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; 1: Metallation / 1: Acylation / 2: Reduction;
DOI:10.1016/S0040-4039(99)01083-7