1-[4-(Trifluoromethyl)phenyl]ethanol

Base Information

• Chemical Name: 1-[4-(Trifluoromethyl)phenyl]ethanol
• CAS No.: 1737-26-4
• Molecular Formula: C9H9F3O
• Molecular Weight: 190.165
• Hs Code.: 2906290090
• European Community (EC) Number: 642-857-9
• DSSTox Substance ID: DTXSID30938423
• Nikkaji Number: J410.604K
• Mol file: 1737-26-4.mol

Synonyms:1-[4-(Trifluoromethyl)phenyl]ethanol;1737-26-4;1-(4-(Trifluoromethyl)phenyl)ethanol;1-[4-(trifluoromethyl)phenyl]ethan-1-ol;MFCD00039618;alpha-methyl-4-trifluoromethylbenzyl alcohol;alpha-Methyl-4-(trifluoromethyl)benzyl alcohol;MFCD03093007;A-Methyl-4-trifluoromethylbenzyl alcohol;SCHEMBL342466;DTXSID30938423;AMY28587;1-(4-trifluoromethylphenyl)-ethanol;1-(4-trifluoromethyl-phenyl)-ethanol;AKOS000249264;AKOS016842788;AC-7201;FS-1136;SY005070;SY271396;CS-0067774;FT-0605132;FT-0605301;FT-0622174;.alpha.-Methyl-p-trifluoromethylbenzyl alcohol;1-(1-hydroxylethyl)-4-trifluoromethylbenzene;(R)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol;alpha -Methyl-4-(trifluoromethyl)benzyl alcohol;Benzenemethanol, a-methyl-4-(trifluoromethyl)-;EN300-129575;A811560;Benzenemethanol, alpha-methyl-4-(trifluoromethyl)-;J-010937;(1S)-1-[1-[4-(Trifluoromethyl)phenyl]ethanol4-(trifluoromethyl)phenyl]ethanol

Chemical Property of 1-[4-(Trifluoromethyl)phenyl]ethanol

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.0322mmHg at 25°C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 232.8 °C at 760 mmHg
• PKA: 13.98±0.20(Predicted)
• Flash Point: 98.3 °C
• PSA: 20.23000
• Density: 1.234 g/cm³
• LogP: 2.75870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.06054939
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

97% purity ^*data from raw suppliers

α-Methyl-4-trifluoromethylbenzylalcohol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Trifluoromethyl)phenyl]ethanol

There total 88 articles about 1-[4-(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: 100.0%

1-(4-trifluoromethylphenyl)ethanone (709-63-7) → 1-(4-trifluorophenyl)ethanol (1737-26-4)

Guidance literature:

With {Cp[1,3-di-ethyl-benzimidazol-2-ylidene]Fe(CO)₂}I; phenylsilane; at 70 ℃; for 17h; Reagent/catalyst; Glovebox; Schlenk technique;

DOI:10.1016/j.jorganchem.2014.03.016

Reference yield: 100.0%

1-(4-trifluoromethylphenyl)ethanone (709-63-7) → (R)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol (1737-26-4,68120-43-4,99493-93-3,76155-79-8)

Guidance literature:

With (S,S)-RuCl₂(2,2'-bis(di-3,5-xylylphosphino)-1,1'-binaphthyl)(1,1-dianisyl-2-isopropyl-1,2-ethylenediamine); potassium tert-butylate; hydrogen; In isopropyl alcohol; at 26 - 30 ℃; for 20h; under 7600 Torr;

DOI:10.1021/ja983257u

Reference yield: 100.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + methyl iodide (74-88-4) → 1-(4-trifluorophenyl)ethanol (1737-26-4)

Guidance literature:

methyl iodide; With magnesium; In diethyl ether; at 20 ℃; for 0.75h;

4-Trifluoromethylbenzaldehyde; In diethyl ether; for 1.5h; Heating;

DOI:10.1016/j.tet.2004.11.057

upstream raw materials:

acetaldehyde

4-chlorobenzotrifluoride

1-(4-trifluoromethylphenyl)ethanone

4-(trifluoromethyl)phenylmagnesium bromide

Downstream raw materials:

1-(4-trifluoromethylphenyl)ethanone

(+/-)-1-(p-(trifluoromethyl)phenyl)ethyl acid phthalate

1-trifluoromethyl-4-vinyl-benzene

1-(1-chloroethyl)-4-(trifluoromethyl)benzene

Refernces

• 1、 Chen, Chao,Lu, Chunxin,Zheng, Qing,Ni, Shengliang,Zhang, Min,Chen, Wanzhi. "Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction". . p. 1786 - 1795. Retrieved 2015.
• 2、 Kumar, Dharmendra,Prakasham,Bheeter, Linus Paulin,Sortais, Jean-Baptiste,Gangwar, Manoj,Roisnel, Thierry,Kalita, Alok Ch,Darcel, Christophe,Ghosh, Prasenjit. "Cationic iron(II) complexes of the mixed cyclopentadienyl (Cp) and the N-heterocyclic carbene (NHC) ligands as effective precatalysts for the hydrosilylation of carbonyl compounds". . p. 81 - 87. Retrieved 2014.
• 3、 Smonou, Ioulia. "Reductions with Organosilanes. Primary and Secondary Isotope Effects in the Reduction of p-Trifluoromethylacetophenone with Organosilanes.". . p. 2071 - 2074. Retrieved 1994.
• 4、 Moore, Cameron M.,Bark, Byongjoo,Szymczak, Nathaniel K.. "Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals". . p. 1981 - 1990. Retrieved 2016.
• 5、 Tran, Hai N.,Stanley, Levi M.. "Nickel-Catalyzed Enantioselective Hydroboration of Vinylarenes". supporting information. p. 395 - 399. Retrieved 2021/12/27.
• 6、 Tadiello, Laura,Gandini, Tommaso,Stadler, Bernhard M.,Tin, Sergey,Jiao, Haijun,de Vries, Johannes G.,Pignataro, Luca,Gennari, Cesare. "Regiodivergent Reductive Opening of Epoxides by Catalytic Hydrogenation Promoted by a (Cyclopentadienone)iron Complex". . p. 235 - 246. Retrieved 2022/01/03.