2-(3,5-Bis(trifluoromethyl)phenyl)ethanol

Base Information

• Chemical Name: 2-(3,5-Bis(trifluoromethyl)phenyl)ethanol
• CAS No.: 93427-28-2
• Molecular Formula: C10H8 F6 O
• Molecular Weight: 258.163
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID60460969
• Nikkaji Number: J1.745.831K
• Wikidata: Q82285171
• Mol file: 93427-28-2.mol

Synonyms:2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHANOL;93427-28-2;2-[3,5-bis(trifluoromethyl)phenyl]ethanol;3,5-bis(trifluoromethyl)benzeneethanol;2-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol;2-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-ol;SCHEMBL265044;DTXSID60460969;AKOS017553372;CS-0266553;EN300-1936843

Chemical Property of 2-(3,5-Bis(trifluoromethyl)phenyl)ethanol

Chemical Property:

• Boiling Point: 191.5±35.0 °C(Predicted)
• PKA: 14.69±0.10(Predicted)
• PSA: 20.23000
• Density: 1.382±0.06 g/cm3(Predicted)
• LogP: 3.25900
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 258.04793385
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

2-(3,5-bis(trifluoromethyl)phenyl)ethanol 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCO

Technology Process of 2-(3,5-Bis(trifluoromethyl)phenyl)ethanol

There total 6 articles about 2-(3,5-Bis(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: 90.0%

3,5-bistrifluoromethylphenyl acetic acid (85068-33-3) → 3,5-Bis(trifluoromethyl)-β-phenethyl alcohol (93427-28-2)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 ℃; for 2h; Sealed tube; Inert atmosphere;

Reference yield: 74.0%

3,5-bis(trifluoromethyl)styrene (349-59-7) → 3,5-Bis(trifluoromethyl)-β-phenethyl alcohol (93427-28-2)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); water; isopropyl alcohol; p-benzoquinone; copper dichloride; tert-butyl alcohol; at 85 ℃;

DOI:10.1126/science.1208685

Reference yield: 56.0%

3,5-bis(trifluoromethyl)styrene (349-59-7) → 3,5-Bis(trifluoromethyl)-β-phenethyl alcohol (93427-28-2) + 1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol (68120-60-5,127852-28-2,368-63-8)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); 1-hydroxytetraphenyl-cyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); water; p-benzoquinone; In methanol; isopropyl alcohol; at 85 ℃; for 36h; regioselective reaction; Inert atmosphere; Glovebox;

DOI:10.1039/c3cc48810a

upstream raw materials:

oxirane

3,5-bis(trifluoromethyl)phenylmagnesium bromide

3,5-bistrifluoromethylphenyl acetic acid

3,5-bis(trifluoromethyl)styrene

Downstream raw materials:

3,5-Bis(trifluoromethyl)-β-phenethylsulfonyl chloride

2-({2-[3,5-bis(trifluoromethyl)phenyl]ethyl}thio)benzothiazole

3,5-di(trifluoromethyl)phenethyl iodine

C₂₅H₃₀F₆O₅