S(-)-1-(Pentafluorophenyl)ethanol

Base Information Edit

Chemical Name:S(-)-1-(Pentafluorophenyl)ethanol
CAS No.:104371-20-2
Molecular Formula:C8H5 F5 O
Molecular Weight:212.119
Hs Code.:2906299090
European Community (EC) Number:621-460-4
Nikkaji Number:J232.134C
Mol file:104371-20-2.mol

Synonyms:104371-20-2;S(-)-1-(PENTAFLUOROPHENYL)ETHANOL;(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol;(S)-(-)-1-(Pentafluoro-phenyl)ethanol;(S)-1-(Pentafluorophenyl)ethanol;(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethan-1-ol;(S)-(-)-1-(Pentafluorophenyl)ethanol;SCHEMBL5327956;(S)-1-(perfluorophenyl)ethanol;WYUNHWKTLDBPLE-REOHCLBHSA-N;MFCD00077840;(1S)-1-(pentafluorophenyl)ethan-1-ol;(S)-(-)-1-(pentafluorophenyl)-ethanol;PS-12012;(S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol;EN300-1848202;J-001158;(S)-(-)- alpha -Methyl-2,3,4,5,6-pentafluorobenzyl alcohol;(S)-(-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol;(S)-(?)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol;(S)-(-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol, for chiral derivatization, >=99.0%

Suppliers and Price of S(-)-1-(Pentafluorophenyl)ethanol

Supply Marketing:Edit

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
(S)-(?)-α-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol for chiral derivatization, ≥99.0%
1g
$ 354.00

Total 8 raw suppliers

Chemical Property of S(-)-1-(Pentafluorophenyl)ethanol Edit

Chemical Property:

Vapor Pressure:1.46mmHg at 25°C
Melting Point:41-42 °C(lit.)
Refractive Index:1.44
Boiling Point:162.9°Cat760mmHg
Flash Point:87.2°C
PSA：20.23000
Density:1.498g/cm³
LogP:2.43540
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:212.02605559
Heavy Atom Count:14
Complexity:186

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-(?)-α-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol for chiral derivatization, ≥99.0% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=C(C(=C(C(=C1F)F)F)F)F)O
Isomeric SMILES:C[C@@H](C1=C(C(=C(C(=C1F)F)F)F)F)O

Technology Process of S(-)-1-(Pentafluorophenyl)ethanol

There total 16 articles about S(-)-1-(Pentafluorophenyl)ethanol 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: 97.0%

: 108-22-5
Isopropenyl acetate

: 830-50-2,75853-08-6
1-(pentafluorophenyl)ethanol

: 104371-20-2,75853-08-6
(S)-1-(2',3',4',5',6'-perfluorophenyl)ethanol

: 104371-21-3,75853-08-6
(R)-(+)-1-(pentafluorophenyl)ethanol

: (R)-1-(2,3,4,5,6-pentafluorophenyl)ethyl acetate

Guidance literature:: With Candida antarctica lipase B; dicarbonyl(chloro)(η⁵-pentaphenylcyclopentadienyl)ruthenium(II); potassium tert-butylate; sodium carbonate; In tetrahydrofuran; toluene; at 20 ℃; for 72h;
DOI:10.1021/ja051576x

Reference yield: 95.0%

: 652-29-9
2',3',4',5',6'-pentafluoroacetophenone

: 104371-20-2,75853-08-6
(S)-1-(2',3',4',5',6'-perfluorophenyl)ethanol

Guidance literature:: 2',3',4',5',6'-pentafluoroacetophenone; With (R)-(+)-3,3'-bis(4-fluorophenyl)-[1,1'-binaphthalene]-2,2'-diol; dibutylmagnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; lithium chloride; In n-heptane; toluene; at -40 ℃; for 3h; Inert atmosphere; Sealed tube;

With methanol; In n-heptane; toluene; at -40 - 20 ℃; for 0.5h; enantioselective reaction; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201908012