1-(PENTAFLUOROPHENYL)ETHANOL

Base Information

• Chemical Name: 1-(PENTAFLUOROPHENYL)ETHANOL
• CAS No.: 75853-08-6
• Molecular Formula: C₈H₅F₅O
• Molecular Weight: 212.119
• Hs Code.: 29062990
• Mol file: 75853-08-6.mol

Synonyms:ALPHA-METHYL PENTAFLUOROBENZYL ALCOHOL;ALPHA-METHYL-2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL;(1-HYDROXYETHYL)PENTAFLUOROBENZENE;1-(PENTAFLUOROPHENYL)ETHANOL;alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol~Methyl pentafluorophenyl carbinol;dl-1-(pentafluorophenyl)ethanol;Methylpentafluorophenylcarbinol;à-methyl-2,3,4,5,6-pentafluorobenzyl alcohol

Chemical Property of 1-(PENTAFLUOROPHENYL)ETHANOL

Chemical Property:

• Melting Point: 32-34 °C(lit.)
• Refractive Index: 1.44
• Boiling Point: 80-82 °C37 mm Hg(lit.)
• Flash Point: 189°F
• PSA: 20.23000
• Density: 68
• LogP: 2.43540

Purity/Quality:

98%min ^*data from raw suppliers

1-(PENTAFLUOROPHENYL)ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(PENTAFLUOROPHENYL)ETHANOL

There total 39 articles about 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: 100.0%

2',3',4',5',6'-pentafluoroacetophenone (652-29-9) → 1-(pentafluorophenyl)ethanol (830-50-2,75853-08-6)

Guidance literature:

With RuBr₂[(S,S)-2,4-bis-(di-3,5-xylylphosphino)pentane]-2-picolylamine; potassium tert-butylate; hydrogen; In isopropyl alcohol; at 40 ℃; for 21h; under 7600.51 Torr; Autoclave; Inert atmosphere;

Reference yield: 97.0%

Isopropenyl acetate (108-22-5) + 1-(pentafluorophenyl)ethanol (830-50-2,75853-08-6) → (S)-1-(2',3',4',5',6'-perfluorophenyl)ethanol (104371-20-2,75853-08-6) + (R)-(+)-1-(pentafluorophenyl)ethanol (104371-21-3,75853-08-6) + (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: 97.0%

Isopropenyl acetate (108-22-5) + 1-(pentafluorophenyl)ethanol (830-50-2,75853-08-6) → (S)-1-(2',3',4',5',6'-perfluorophenyl)ethanol (104371-20-2,75853-08-6) + (R)-(+)-1-(pentafluorophenyl)ethanol (104371-21-3,75853-08-6) + (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

upstream raw materials:

Hexafluorobenzene

ethanol

Pentafluorobenzene

acetaldehyde

Downstream raw materials:

α-Pentafluorphenylethyl-triphenylmethyl-ether

(1,2-dibromo-ethyl)-pentafluoro-benzene

Trifluoro-acetic acid 1-pentafluorophenyl-ethyl ester

Formic acid 1-pentafluorophenyl-ethyl ester

Refernces

• 1、 Sun, Xiang,Ritter, Tobias. "Decarboxylative Polyfluoroarylation of Alkylcarboxylic Acids". supporting information. p. 10557 - 10562. Retrieved 2021/04/05.
• 2、 Yuan, Bo,Debecker, Damien P.,Wu, Xiaofeng,Xiao, Jianliang,Fei, Qiang,Turner, Nicholas J.. "One-pot Chemoenzymatic Deracemisation of Secondary Alcohols Employing Variants of Galactose Oxidase and Transfer Hydrogenation". . p. 6191 - 6195. Retrieved 2020/10/15.