(S)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL

Base Information

• Chemical Name: (S)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
• CAS No.: 99493-93-3
• Molecular Formula: C9H9 F3 O
• Molecular Weight: 190.165
• Hs Code.: 2906299090
• Mol file: 99493-93-3.mol

Synonyms:Benzenemethanol,a-methyl-4-(trifluoromethyl)-,(S)-; (-)-1-(p-Trifluoromethylphenyl)ethanol; (S)-1-[4-(Trifluoromethyl)phenyl]ethanol;(S)-1-[p-(Trifluoromethyl)phenyl]ethanol; (aS)-a-Methyl-4-trifluoromethylbenzenemethanol

Chemical Property of (S)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL

Chemical Property:

• Boiling Point: 233℃
• PKA: 13.98±0.20(Predicted)
• Flash Point: 98℃
• PSA: 20.23000
• Density: 1.234
• LogP: 2.75870
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

(1S)-1-[4-(Trifluoromethyl)phenyl]ethan-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL

There total 101 articles about (S)-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) → (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) + trimethylaluminum (75-24-1) → (S)-1-(4-trifluoromethylphenyl)ethanol (99493-93-3)

Guidance literature:

4-Trifluoromethylbenzaldehyde; trimethylaluminum; With titanium(IV) isopropylate; (S_a)-2'-[(R)-hydroxy(phenyl)methyl]-(1,1'-binaphthalen)-2-ol; In diethyl ether; toluene; at 0 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In diethyl ether; water; toluene; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetasy.2012.05.007

Reference yield: 99.0%

1-(4-trifluoromethylphenyl)ethanone (709-63-7) → (S)-1-(4-trifluoromethylphenyl)ethanol (99493-93-3)

Guidance literature:

With D-glucose; In aq. phosphate buffer; at 25 ℃; for 24h; pH=7.0; stereoselective reaction;

DOI:10.3390/md16020062

upstream raw materials:

4-Trifluoromethylbenzaldehyde

dimethyl zinc(II)

1-(4-trifluoromethylphenyl)ethanone

(S)-1-(p-(trifluoromethyl)phenyl)ethyl acid phthalate

Downstream raw materials:

(R)-1-[4-(trifluoromethyl)phenyl]ethan-1-ol

1-(4-trifluorophenyl)ethanol

(R)-(1E)-1-(1-(4-(trifluoromethyl)phenyl)ethoxy)-2-methylpent-1-en-3-one

methyl ((1R,4S)-6-fluoro-4-hydroxy-8-(methylsulfonyl)-9-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl) acetate

Refernces

• 1、 Oestreich, Martin,Seliger, Jan. "Dynamic Kinetic Resolution of Alcohols by Enantioselective Silylation Enabled by Two Orthogonal Transition-Metal Catalysts". . p. 247 - 251. Retrieved 2020/10/29.
• 2、 Mathew, Sam,Renn, Dominik,Rueping, Magnus,Sagadevan, Arunachalam. "One-Pot Chemoenzymatic Conversion of Alkynes to Chiral Amines". . p. 12565 - 12569. Retrieved 2021/10/21.