2-(Trifluoromethyl)benzhydrol

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzhydrol
• CAS No.: 727-98-0
• Molecular Formula: C14H11F3O
• Molecular Weight: 252.236
• Hs Code.: 2906299090
• European Community (EC) Number: 620-770-7
• DSSTox Substance ID: DTXSID10380507
• Nikkaji Number: J398.201G
• Mol file: 727-98-0.mol

Synonyms:2-(Trifluoromethyl)benzhydrol;727-98-0;Phenyl(2-(trifluoromethyl)phenyl)methanol;phenyl-[2-(trifluoromethyl)phenyl]methanol;SCHEMBL3289370;DTXSID10380507;2-(Trifluoromethyl)benzhydrol, 97%;MFCD00014396;2-(Trifluoromethyl)benzhydryl alcohol;AKOS003583261;AKOS016844143;CS-0204773;FT-0608955;Benzenemethanol,a-phenyl-2-(trifluoromethyl)-;Benzenemethanol, a-phenyl-2-(trifluoromethyl)-;A837620

Chemical Property of 2-(Trifluoromethyl)benzhydrol

Chemical Property:

• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 321 °C at 760 mmHg
• Flash Point: 133.2 °C
• PSA: 20.23000
• Density: 1.257 g/cm³
• LogP: 3.78710
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.07619946
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

2-(Trifluoromethyl)benzhydrol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)O

Technology Process of 2-(Trifluoromethyl)benzhydrol

There total 13 articles about 2-(Trifluoromethyl)benzhydrol 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: 98.0%

→ phenyl[2-(trifluoromethyl)phenyl]methanol (727-98-0)

Guidance literature:

Reference yield: 97.0%

o-trifluoromethylphenyl bromide (392-83-6) + benzaldehyde (100-52-7) → phenyl[2-(trifluoromethyl)phenyl]methanol (727-98-0)

Guidance literature:

o-trifluoromethylphenyl bromide; With iodine; magnesium; In tetrahydrofuran; at 100 ℃; for 1h; microwave irradiation;

benzaldehyde; In tetrahydrofuran; at 100 ℃; for 0.5h; microwave irradiation;

DOI:10.1055/s-2005-869856

Reference yield: 90.0%

2-Trifluoromethylbenzaldehyde (447-61-0) + phenylboronic acid (98-80-6) → phenyl[2-(trifluoromethyl)phenyl]methanol (727-98-0)

Guidance literature:

phenylboronic acid; With trimethyl gallium; In toluene; at 20 ℃; for 2h; Inert atmosphere;

2-Trifluoromethylbenzaldehyde; In toluene; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.1055/s-0028-1087552

upstream raw materials:

n-butyllithium

2-trifluoromethylbenzophenone

[2-(trifluoromethyl)phenyl]magnesium bromide

benzaldehyde

Downstream raw materials:

10,10-Diphenyl-10H-anthracen-9-one

Refernces

• 1、 Moore, Peter W.,Mirzayans, Paul M.,Williams, Craig M.. "NMO·TPB: A selectivity variation on the Ley-Griffith TPAP oxidation". supporting information. p. 3567 - 3571. Retrieved 2015/03/04.
• 2、 Das, Manas,O'Shea, Donal F.. "Bu4N+ alkoxide-initiated/autocatalytic addition reactions with organotrimethylsilanes". . p. 5595 - 5607. Retrieved 2014/07/08.