3-(Trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 3-(Trifluoromethyl)benzyl alcohol
• CAS No.: 349-75-7
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.138
• Hs Code.: 29062990
• European Community (EC) Number: 206-489-9
• UNII: BT8MU69YY3
• DSSTox Substance ID: DTXSID20188455
• Nikkaji Number: J5.183G
• Wikidata: Q72511743
• Mol file: 349-75-7.mol

Synonyms:3-(Trifluoromethyl)benzyl alcohol;349-75-7;3-Trifluoromethylbenzyl alcohol;(3-(Trifluoromethyl)phenyl)methanol;[3-(Trifluoromethyl)phenyl]methanol;3-(trifluoromethyl)benzylalcohol;Benzenemethanol, 3-(trifluoromethyl)-;m-(Trifluoromethyl)benzyl alcohol;3-(Trifluoromethyl)benzylic alcohol;m-trifluoromethylbenzyl alcohol;MFCD00004645;3-Hydroxymethylbenzyltrifluoride;EINECS 206-489-9;3-Trifluorobenzyl alcohol;SCHEMBL2257;BT8MU69YY3;3-trifluoromethylphenylmethanol;3-Trifluoromethyl Benzylalcohol;BXEHKCUWIODEDE-UHFFFAOYSA-;(3-Trifluoromethylphenyl)methanol;DTXSID20188455;3-(Trifluoromethyl)benzenemethanol;m-(trifluoromethyl)-benzyl alcohol;CS-D1160;(3-Trifluoromethyl-phenyl)-methanol;Benzyl alcohol, m-(trifluoromethyl)-;AKOS000249475;[3-(Trifluoromethyl)phenyl]methanol #;AC-9763;PS-8589;3-(Trifluoromethyl)benzyl alcohol, 97%;SY015970;FT-0613936;T1342;EN300-49130;J-019821;F0001-1013;Z335244772

Chemical Property of 3-(Trifluoromethyl)benzyl alcohol

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.0918mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 214.403 °C at 760 mmHg
• PKA: 14.17±0.10(Predicted)
• Flash Point: 84.444 °C
• PSA: 20.23000
• Density: 1.288 g/cm³
• LogP: 2.19770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• 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

3-(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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-(Trifluoromethyl)benzyl alcohol

There total 22 articles about 3-(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: 98.0%

3-Trifluoromethylbenzaldehyde (454-89-7) → 3-(trifluoromethyl)benzyl alcohol (349-75-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.201604149

Reference yield: 97.0%

3-(trifluoromethyl)benzoic acid (454-92-2) → 3-(trifluoromethyl)benzyl alcohol (349-75-7)

Guidance literature:

With borane-THF; boron trifluoride diethyl etherate; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1080/00304940209355791

Reference yield: 94.0%

3-trifluoromethylbenzoic acid methyl ester (2557-13-3) → 3-(trifluoromethyl)benzyl alcohol (349-75-7)

Guidance literature:

With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh)₃(CO); hydrogen; In tetrahydrofuran; at 120 ℃; for 5h; under 37503.8 Torr; Inert atmosphere; Autoclave;

DOI:10.1039/c6cy02413k

upstream raw materials:

3-(trifluoromethyl)phenylmagnesium bromide

3-Trifluoromethylbenzyl chloride

formaldehyd

3-(trifluoromethyl)benzoic acid

Downstream raw materials:

3-Trifluoromethylbenzyl chloride

1-bromomethyl-3-trifluoromethylbenzene

3-Trifluoromethylbenzaldehyde

3-trifluoromethylbenzyl methanesulfonate

Refernces

• 1、 Hossain, Istiak,Schmidt, Joseph A. R.. "Nickel(II) Catalyzed Hydroboration: A Route to Selective Reduction of Aldehydes and N-Allylimines". . p. 1877 - 1884. Retrieved 2020/05/25.
• 2、 Pandrala, Mallesh,Resendez, Angel,Malhotra, Sanjay V.. "Polypyridyl iridium(III) based catalysts for highly chemoselective hydrogenation of aldehydes". . p. 283 - 288. Retrieved 2019/09/30.