2-(Trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzyl alcohol
• CAS No.: 346-06-5
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.138
• Hs Code.: 29062990
• European Community (EC) Number: 206-467-9
• DSSTox Substance ID: DTXSID10188166
• Nikkaji Number: J193.800B
• Wikidata: Q72511737
• Mol file: 346-06-5.mol

Synonyms:2-(Trifluoromethyl)benzyl alcohol;346-06-5;(2-(Trifluoromethyl)phenyl)methanol;[2-(Trifluoromethyl)phenyl]methanol;o-Trifluoromethylbenzyl alcohol;2-(trifluoromethyl)benzylalcohol;Benzenemethanol, 2-(trifluoromethyl)-;o-(trifluoromethyl)benzyl alcohol;2-(Trifluoromethyl)benzylic alcohol;2-(Trifluoromethyl)benzenemethanol;EINECS 206-467-9;MFCD00004621;2-trifluoromethylbenzyl alcohol;[2-(trifluoromethyl)phenyl]methan-1-ol;SCHEMBL44837;2-trifluoromethyl benzyl alcohol;2-(Trifluromethyl)benzyl alcohol;TWQNSHZTQSLJEE-UHFFFAOYSA-;DTXSID10188166;CHEBI:195111;[2-(triluoromethyl)phenyl]methanol;(2-trifluoromethyl-phenyl)-methanol;AKOS000249422;[2-(Trifluoromethyl)phenyl]methanol #;AC-9761;AM62584;CS-W001960;PS-8590;2-(Trifluoromethyl)benzyl alcohol, 97%;SY016153;FT-0608963;T1311;EN300-49135;A22542;J-019678;Z335244766;(2-Trifluoromethyl-phenyl)-methanol

Chemical Property of 2-(Trifluoromethyl)benzyl alcohol

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.327mmHg at 25°C
• Melting Point: 4 °C
• Refractive Index: n20/D 1.468(lit.)
• Boiling Point: 191.3 °C at 760 mmHg
• PKA: 14.01±0.10(Predicted)
• Flash Point: 92.2 °C
• PSA: 20.23000
• Density: 1.287 g/cm³
• LogP: 2.19770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 176.04489933
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

2-(Trifluoromethyl)benzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-(Trifluoromethyl)benzyl alcohol

There total 16 articles about 2-(Trifluoromethyl)benzyl alcohol 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: 95.0%

2-trifluoromethyl-benzoic acid methyl ester (344-96-7) → (2-(trifluoromethyl)phenyl)methanol (346-06-5)

Guidance literature:

With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh)₃(CO); hydrogen; In tetrahydrofuran; at 120 ℃; for 16h; under 37503.8 Torr; Inert atmosphere; Autoclave;

DOI:10.1039/c6cy02413k

Reference yield: 91.0%

2-Trifluoromethylbenzaldehyde (447-61-0) + prenyl bromide (870-63-3) → (2-(trifluoromethyl)phenyl)methanol (346-06-5) + 2,2-dimethyl-1-(2-trifluoromethylphenyl)-but-3-en-1-one + 2,2-dimethyl-1-(2-trifluoromethyl-phenyl)-but-3-en-1-ol

Guidance literature:

With chromium dichloride; lithium iodide; In tetrahydrofuran; at 55 ℃; for 3h;

DOI:10.1021/jo001750u

Reference yield: 90.0%

2-Trifluoromethylbenzaldehyde (447-61-0) → (2-(trifluoromethyl)phenyl)methanol (346-06-5)

Guidance literature:

With sodium tetrahydroborate; In water; at 0 - 10 ℃; for 1.33333h; Temperature; Concentration;

upstream raw materials:

formaldehyd

[2-(trifluoromethyl)phenyl]magnesium bromide

2-trifluoromethylbenzoic acid

2-trifluoromethylphenylmagnesium chloride

Downstream raw materials:

1-[5-nitro-6-(2-trifluoromethyl-benzyloxy)-pyrimidin-4-yl]-piperidine-4-carboxylic acid ethyl ester

methyl 5-(6-{[(1,1-dimethylethyl)(diphenyl)silyl]oxy}-1H-benzimidazol-1-yl)-3-({[2-(trifluoromethyl)phenyl]methyl}oxy)-2-thiophenecarboxylate

methyl 5-(5-{[(1,1-dimethylethyl)(diphenyl)silyl]oxy}-1H-benzimidazol-1-yl)-3-({[2-(trifluoromethyl)phenyl]methyl}oxy)-2-thiophenecarboxylate

1-(azidomethyl)-2-(trifluoromethyl)benzene

Refernces

• 1、 Blair, Victoria L.,Boutland, Aaron J.,Kelly, John A.,Orr, Samantha A.. "Structural Elucidation of Silver(I) Amides and Their Application as Catalysts in the Hydrosilylation and Hydroboration of Carbonyls". supporting information. p. 4947 - 4951. Retrieved 2020/04/22.
• 2、 Li, Huaifeng,Gon?alves, Théo P.,Hu, Jinsong,Zhao, Qianyi,Gong, Dirong,Lai, Zhiping,Wang, Zhixiang,Zheng, Junrong,Huang, Kuo-Wei. "A Pseudodearomatized PN3P?Ni-H Complex as a Ligand and σ-Nucleophilic Catalyst". . p. 14969 - 14977. Retrieved 2019/01/03.