2-[4-(Trifluoromethyl)phenyl]ethanol

Base Information

• Chemical Name: 2-[4-(Trifluoromethyl)phenyl]ethanol
• CAS No.: 2968-93-6
• Molecular Formula: C9H9F3O
• Molecular Weight: 190.165
• Hs Code.: 2906299090
• European Community (EC) Number: 626-283-6
• DSSTox Substance ID: DTXSID20460844
• Nikkaji Number: J1.800.064D
• Wikidata: Q72512179
• Mol file: 2968-93-6.mol

Synonyms:2968-93-6;2-[4-(trifluoromethyl)phenyl]ethanol;4-(Trifluoromethyl)phenethyl alcohol;2-(4-(Trifluoromethyl)phenyl)ethanol;Benzeneethanol, 4-(trifluoromethyl)-;4-(Trifluoromethyl)-benzeneethanol;2-[4-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL;MFCD06411331;2-(4-(Trifluoromethyl)phenyl)ethan-1-ol;SCHEMBL833275;DTXSID20460844;2-(4-Trifluoromethylphenyl)ethanol;AMY39917;2-(4-trifluoromethyl-phenyl)ethanol;2-(4-Trifluoromethylphenyl)-ethanol;CK2446;AKOS011396138;2-[4-(tri-fluoromethyl)phenyl]ethanol;CS-W015901;SB21610;AS-19445;BP-12700;SY102166;4-(Trifluoromethyl)phenethyl alcohol, 97%;4-(TRIFLUOROMETHYL)PHENETHYL ALCOHOL;EN300-86008;J-017606;Z959308786

Chemical Property of 2-[4-(Trifluoromethyl)phenyl]ethanol

Chemical Property:

• Vapor Pressure: 0.0742mmHg at 25°C
• Refractive Index: n20/D 1.463(lit.)
• Boiling Point: 218.2 °C at 760 mmHg
• PKA: 14.69±0.10(Predicted)
• Flash Point: 98 °C
• PSA: 20.23000
• Density: 1.24 g/cm³
• LogP: 2.24020
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 190.06054939
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

98%, ^*data from raw suppliers

4-(Trifluoromethyl)-benzeneethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)C(F)(F)F
• Uses: 4-(Trifluoromethyl)-benzeneethanol is an intermediate used to prepare substituted phenylpropanoic acid derivatives as selective human PPARα activators.It is also used to synthesize PI3Kγ-kinase inhibitors.

Technology Process of 2-[4-(Trifluoromethyl)phenyl]ethanol

There total 29 articles about 2-[4-(Trifluoromethyl)phenyl]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%

4-Trifluoromethylphenylacetic acid (32857-62-8) → 2-(4-trifluoromethylphenyl)ethanol (2968-93-6)

Guidance literature:

With borane dimethyl sulfide complex; In tetrahydrofuran; at 20 ℃;

Reference yield: 98.0%

methyl 2-(4-(trifluoromethyl)phenyl)acetate (135325-18-7) → 2-(4-trifluoromethylphenyl)ethanol (2968-93-6)

Guidance literature:

methyl 2-(4-(trifluoromethyl)phenyl)acetate; With diethylzinc; lithium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 6h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; hexane; water; at 20 ℃; for 8h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201406176

Reference yield: 89.0%

2,2,2-trichloromethyl-1-(4'-trifluoromethylphenyl)ethanol (918961-22-5) → 2-(4-trifluoromethylphenyl)ethanol (2968-93-6)

Guidance literature:

With lithium borohydride; sodium hydroxide; In isopropyl alcohol; Temperature; Heating; Inert atmosphere;

DOI:10.1002/ejoc.201501089

upstream raw materials:

oxirane

p-trifluoromethylphenyl bromide

4-Trifluoromethylphenylacetic acid

1-trifluoromethyl-4-vinyl-benzene

Downstream raw materials:

1-(2-iodoethyl)-4-(trifluoromethyl)benzene

2-[4-(trifluoromethyl)phenyl]ethyl bromide

Refernces

• 1、 Soga, Nene,Yoshiki, Tomo,Sato, Aoi,Kawamoto, Takuji,Ryu, Ilhyong,Matsubara, Hiroshi. "Borane evolution and its application to organic synthesis using the phase-vanishing method". supporting information. . Retrieved 2021/03/26.
• 2、 H?jgaard Hansen, Anders,Christensen, Henriette B.,Pandey, Sunil K.,Sergeev, Eugenia,Valentini, Alice,Dunlop, Julia,Dedeo, Domonkos,Fratta, Simone,Hudson, Brian D.,Milligan, Graeme,Ulven, Trond,Rexen Ulven, Elisabeth. "Structure-Activity Relationship Explorations and Discovery of a Potent Antagonist for the Free Fatty Acid Receptor 2". . p. 3326 - 3341. Retrieved 2021/09/14.