2-(PENTAFLUOROPHENYL)ETHANOL

Base Information

• Chemical Name: 2-(PENTAFLUOROPHENYL)ETHANOL
• CAS No.: 653-31-6
• Molecular Formula: C8H5 F5 O
• Molecular Weight: 212.119
• Hs Code.: 2906299090
• European Community (EC) Number: 211-499-1
• NSC Number: 96899
• UNII: 3U2QK7J92A
• DSSTox Substance ID: DTXSID70215644
• Nikkaji Number: J205.939H
• Wikidata: Q83091717
• Mol file: 653-31-6.mol

Synonyms:Phenethylalcohol, 2,3,4,5,6-pentafluoro- (6CI,7CI,8CI); 2-(Pentafluorophenyl)ethanol;NSC 96899

Chemical Property of 2-(PENTAFLUOROPHENYL)ETHANOL

Chemical Property:

• Vapor Pressure: 0.368mmHg at 25°C
• Boiling Point: 89-90°C 6mm
• PKA: 14.36±0.10(Predicted)
• Flash Point: 68.2°C
• PSA: 20.23000
• Density: 1,525 g/cm3
• LogP: 1.91690
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 212.02605559
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Pentafluorophenyl)ethanol 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of 2-(PENTAFLUOROPHENYL)ETHANOL

There total 16 articles about 2-(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: 82.0%

oxirane (75-21-8,99932-75-9) + 2,3,4,5,6-pentafluorophenylmagnesium bromide (879-05-0) → 2-(pentafluorophenyl)ethanol (653-31-6)

Guidance literature:

In tetrahydrofuran; reaction at 20°C, 16 hours;;

Reference yield: 75.0%

oxirane (75-21-8,99932-75-9) + bromopentafluorobenzene (344-04-7) → 2-(pentafluorophenyl)ethanol (653-31-6)

Guidance literature:

bromopentafluorobenzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 1h;

oxirane; In diethyl ether; hexane; toluene; at 20 ℃; for 1h;

DOI:10.1248/cpb.c13-00555

Reference yield: 70.0%

oxirane (75-21-8,99932-75-9) + pentafluorophenylmagnesium chloride (879-06-1) → 2-(pentafluorophenyl)ethanol (653-31-6)

Guidance literature:

In diethyl ether; reaction at 20°C in ether, later in THF, 16 hours;;

upstream raw materials:

ethyl pentafluorophenylacetate

2,3,4,5,6-pentafluorophenylacetic acid

2,3,4,5,6-pentafluorostyrene

bromopentafluorobenzene

Downstream raw materials:

1,2,3,4,5-Pentafluoro-6-(2-iodo-ethyl)-benzene

2-pentafluorophenylethyl β-D-glucopyranoside

2-Methoxy-5,5-dimethyl-2-(2-pentafluorophenyl-ethoxy)-2,5-dihydro-[1,3,4]oxadiazole

2-Pentafluorophenylethyl bromide

Refernces

• 1、 Yang, Xiaoming,Xu, Wen,Zhao, Weijia,Zhao, Yahong,Yang, Yumin,Ling, Yong. "Synthesis and neuroprotective effects of the fluorine substituted salidroside analogues in the PC12 cell model exposed to hypoglycemia and serum limitation". . p. 1192 - 1196. Retrieved 2014/01/06.
• 2、 Ramachandran, P. Veeraraghavan,Jennings, Michael P.. "Investigation of the factors controlling the regioselectivity of the hydroboration of fluoroolefins". . p. 386 - 387. Retrieved 2007/10/03.