4-(Trifluoromethyl)benzhydrol

Base Information

• Chemical Name: 4-(Trifluoromethyl)benzhydrol
• CAS No.: 395-23-3
• Molecular Formula: C14H11 F3 O
• Molecular Weight: 252.236
• Hs Code.: 2906299090
• European Community (EC) Number: 636-800-7
• NSC Number: 88345
• DSSTox Substance ID: DTXSID50293288
• Nikkaji Number: J1.461.854F
• ChEMBL ID: CHEMBL611616
• Mol file: 395-23-3.mol

Synonyms:4-(Trifluoromethyl)benzhydrol;395-23-3;phenyl(4-(trifluoromethyl)phenyl)methanol;phenyl[4-(trifluoromethyl)phenyl]methanol;phenyl-[4-(trifluoromethyl)phenyl]methanol;Benzhydrol, 4-trifluoromethyl-,;NSC88345;4-Trifluoromethylbenzhydrol;NCIOpen2_005428;SCHEMBL477694;CHEMBL611616;DTXSID50293288;MFCD00014399;NSC-88345;AKOS004908861;(4-trifluoromethylphenyl)(phenyl)methanol;AC-20897;AS-65252;phenyl-(4-trifluoromethyl-phenyl)-methanol;(4-(trifluoromethyl)phenyl)(phenyl)methanol;CS-0156536;FT-0616914;D82074;A824600;AB-131/40897211;5,6-DIHYDRO-5-METHYL-6-OXO-4H-IMIDAZO[1,5-A]THIENO[2,3-F][1,4]DIAZEPINE-3-CARBOXYLICACID1,1-DIMETHYLETHYLESTER

Chemical Property of 4-(Trifluoromethyl)benzhydrol

Chemical Property:

• Vapor Pressure: 7.67E-05mmHg at 25°C
• Melting Point: 59 °C
• Boiling Point: 122 °C
• Flash Point: 135.6°C
• PSA: 20.23000
• Density: 1.257g/cm³
• LogP: 3.78710
• Storage Temp.: 2-8°C
• 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: 250

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(Trifluoromethyl)benzhydrol

There total 27 articles about 4-(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: 99.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + phenylboronic acid (98-80-6) → phenyl(4-(trifluoromethyl)phenyl)methanol (395-23-3)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; caesium carbonate; triphenylphosphine; In chloroform; toluene; at 80 ℃; for 24h;

DOI:10.1021/ol051501y

Reference yield: 98.0%

phenyl[4-(trifluoromethyl)phenyl]methanone (728-86-9) → phenyl(4-(trifluoromethyl)phenyl)methanol (395-23-3)

Guidance literature:

With [(OC-6-13)-RuCl₂[P(p-CH₃C₆H₅)3]2(en)]; potassium tert-butylate; hydrogen; In isopropyl alcohol; tert-butyl alcohol; at 28 ℃; for 1h; under 6080.41 Torr;

DOI:10.1021/ol9904139

Reference yield: 93.0%

4-trifluoromethylphenylboronic acid 1,3-propanediol ester (416839-38-8) + benzaldehyde (100-52-7) → phenyl(4-(trifluoromethyl)phenyl)methanol (395-23-3)

Guidance literature:

With 4-Octyne; water; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 12h;

DOI:10.1039/b417353h

upstream raw materials:

phenyl[4-(trifluoromethyl)phenyl]methanone

4-(trifluoromethyl)phenylmagnesium bromide

benzaldehyde

(phenyl)(4-trifluoromethylphenyl)methyl bromide

Downstream raw materials:

4-[2-(4-trifluoromethyl-benzhydryloxy)-ethyl]-morpholine

2-Dimethylamino-aethoxy-<4-trifluormethyl-benzhydryl>

phenyl[4-(trifluoromethyl)phenyl]methanone

C₂₈H₂₀F₆O