1,1,1-Trifluoro-2-phenylbut-3-en-2-ol

Base Information

Chemical Name:1,1,1-Trifluoro-2-phenylbut-3-en-2-ol
CAS No.:134418-70-5
Molecular Formula:C10H9F3O
Molecular Weight:202.176
Hs Code.:29062900
European Community (EC) Number:621-505-8
DSSTox Substance ID:DTXSID40370370
Mol file:134418-70-5.mol

Synonyms:1,1,1-trifluoro-2-phenylbut-3-en-2-ol;134418-70-5;1,1,1-Trifluoro-2-phenyl-3-buten-2-ol;2-Phenyl-1,1,1-trifluoro-3-buten-2-ol;SCHEMBL3915973;DTXSID40370370;MFCD03427175;AKOS015913172;1,1,1-trifluoro-2-phenyl-but-3-en-2-ol;CS-0257645;FT-0609417;EN300-6746826;1,1,1-Trifluoro-2-phenyl-3-buten-2-ol, 95%;J-006535

Suppliers and Price of 1,1,1-Trifluoro-2-phenylbut-3-en-2-ol

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
1,1,1-Trifluoro-2-phenyl-3-buten-2-ol 95%
1g
$ 88.40

Sigma-Aldrich
1,1,1-Trifluoro-2-phenyl-3-buten-2-ol 95%
500mg
$ 85.30

American Custom Chemicals Corporation
1,1,1-TRIFLUORO-2-PHENYL-3-BUTEN-2-OL 95.00%
1G
$ 736.14

American Custom Chemicals Corporation
1,1,1-TRIFLUORO-2-PHENYL-3-BUTEN-2-OL 95.00%
500MG
$ 635.72

Total 12 raw suppliers

Chemical Property of 1,1,1-Trifluoro-2-phenylbut-3-en-2-ol

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:0.0244mmHg at 25°C
Melting Point:89-90 °C(lit.)
Refractive Index:n20/D 1.4740(lit.)
Boiling Point:237.5 °C at 760 mmHg
PKA:11.17±0.10(Predicted)
Flash Point:104.9 °C
PSA：20.23000
Density:1.224 g/cm³
LogP:2.62250
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:202.06054939
Heavy Atom Count:14
Complexity:206

Purity/Quality:

97% ^*data from raw suppliers

1,1,1-Trifluoro-2-phenyl-3-buten-2-ol 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s): F, Xi
Hazard Codes:Xi,F
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C=CC(C1=CC=CC=C1)(C(F)(F)F)O

Technology Process of 1,1,1-Trifluoro-2-phenylbut-3-en-2-ol

There total 2 articles about 1,1,1-Trifluoro-2-phenylbut-3-en-2-ol 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%

: 434-45-7
2,2,2-Trifluoroacetophenone

: 1826-67-1
vinyl magnesium bromide

: 134418-70-5
(R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-ol

Guidance literature:: In tetrahydrofuran; for 12h; Ambient temperature;
DOI:10.1080/00397919308018609

Reference yield:

: (R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-yl acetate

: 134418-70-5
(R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-ol

Guidance literature:: With recombinant esterase BS₂ (Bacillus subtilis) variant; In dimethyl sulfoxide; at 37 ℃; for 1h; pH=7.5; optical yield given as %ee; enantioselective reaction; Resolution of racemate; aq. phosphate buffer; Enzymatic reaction;
DOI:10.1002/ejoc.201000193