ALPHA-METHYL-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL

Base Information

• Chemical Name: ALPHA-METHYL-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL
• CAS No.: 454-91-1
• Molecular Formula: C9H9 F3 O
• Molecular Weight: 190.165
• Hs Code.: 29062990
• Mol file: 454-91-1.mol

Synonyms:Benzylalcohol, a-methyl-m-(trifluoromethyl)-(7CI,8CI); 1-[(3-Trifluoromethyl)phenyl]ethanol; a-Methyl-3-trifluoromethylbenzyl alcohol

Chemical Property of ALPHA-METHYL-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.14mmHg at 25°C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 100-102 °C17 mm Hg(lit.)，206.9 °C at 760 mmHg
• PKA: 14.24±0.20(Predicted)
• Flash Point: 96.1 °C
• PSA: 20.23000
• Density: 1.249 g/mL at 25 °C(lit.)
• LogP: 2.75870
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

1-[3-(Trifluoromethyl)phenyl]ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiF
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of ALPHA-METHYL-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL

There total 60 articles about ALPHA-METHYL-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: 100.0%

3'-(trifluoromethyl)acetophenone (349-76-8) → 1-(3-trifluoromethylphenyl)ethanol (454-91-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃;

DOI:10.1002/anie.201501807

Reference yield: 99.7%

3'-(trifluoromethyl)acetophenone (349-76-8) → (R)-1-(3-trifluoromethylphenyl)ethanol (454-91-1,68120-40-1,96789-80-9,127852-24-8)

Guidance literature:

With potassium tert-butylate; hydrogen; RuCl₂[(S)-XylHexaPHEMP][(S)-1,1-dianisyl-2-iPr-1,2-Et(NH₂)2]; In isopropyl alcohol; tert-butyl alcohol; at 20 ℃; for 0.683333h; under 6205.94 Torr;

DOI:10.1002/adsc.200390025

Reference yield: 99.0%

3'-(trifluoromethyl)acetophenone (349-76-8) → (R)-1-(3-trifluoromethylphenyl)ethanol (454-91-1,68120-40-1,96789-80-9,127852-24-8) + triethylamine (121-44-8)

Guidance literature:

upstream raw materials:

3-(trifluoromethyl)phenylmagnesium bromide

acetaldehyde

3'-(trifluoromethyl)acetophenone

3-(trifluoromethyl)styrene

Downstream raw materials:

(S)-1-(3-trifluoromethylphenyl)ethanol

3-(trifluoromethyl)styrene

(R)-1-(3-trifluoromethylphenyl)ethanol

3'-(trifluoromethyl)acetophenone

Refernces

• 1、 Zhang, Lin,Zhang, Ling,Chen, Qian,Li, Linlin,Jiang, Jian,Sun, Hao,Zhao, Chong,Yang, Yuanyong,Li, Chun. "Cinchona-Alkaloid-Derived NNP Ligand for Iridium-Catalyzed Asymmetric Hydrogenation of Ketones". supporting information. p. 415 - 419. Retrieved 2022/01/12.
• 2、 Liu, Jiahao,Li, Weikang,Li, Yinwu,Liu, Yan,Ke, Zhuofeng. "Selective C-alkylation Between Alcohols Catalyzed by N-Heterocyclic Carbene Molybdenum". supporting information. p. 3124 - 3128. Retrieved 2021/09/20.