534613-13-3

Basic information

• Product Name: (R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL
• Synonyms: (R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL
• CAS NO: 534613-13-3
• Molecular Formula: C₁₂H₁₀F₆O₂
• Molecular Weight: 300.2
• Mol File: 534613-13-3.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL(534613-13-3)
• EPA Substance Registry System: (R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL(534613-13-3)

Safety Data

• Hazardous Substances Data: 534613-13-3(Hazardous Substances Data)

Usage

General Description

(R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL is a chemical compound that belongs to the class of organic compounds known as phenylpropanoids. It is a white crystalline powder with a strong odor, and is commonly used in the production of pharmaceuticals, fragrances, and as an intermediate in organic synthesis. (R)-O-ACETYL-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANOL has a molecular formula of C14H11F6O2 and a molecular weight of 322.22 g/mol. It is important to handle this compound with caution, as it may cause irritation to the skin, eyes, and respiratory system, and should be stored and used in accordance with proper safety procedures and guidelines.

Upstream product

• 108-05-4 vinyl acetate 
• 68120-60-5 1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol 
• 563-63-3 silver(I) acetate 
• 876-27-7 4-chlorophenyl acetate 
• 225920-05-8 (S)-3,5-bis(trifluoromethyl)-1-phenylethanol 
• 64-19-7 acetic acid 
• 108-22-5 Isopropenyl acetate 
• 1361513-78-1 1-(3,5-bis(trifluoromethyl)phenyl)vinyl acetate 
• 30071-93-3 3,5-bis(trifluoromethyl)phenyl methyl ketone 

Downstream Products

• 368-63-8 (R)-[3,5-bis(trifluoromethyl)phenyl]ethanol 
• 127733-40-8 (S)-α-(3,5-bis(trifluoromethyl)phenyl)ethylamine 

Relevant articles and documents

One-pot kinetic resolution-Mitsunobu reaction to access optically pure compounds, using silver salts in the substitution protocol

A practical method is developed to access chiral arylalkyl carbinols with a high yield from racemic alcohols. A one-pot enzyme mediated Kinetic Resolution followed by Mitsunobu esterification of the unreacted enantiomer of alcohol with metal acetate results in a nearly complete formation of chiral acetate. Substitution with AgOAc was found to be the most efficient, and the use of sub stoichiometric amounts of AgNO3 and excess of NaOAc affords comparable results; the protocol was further extended to introduce azide as a nucleophile.

Modified Kagan's amide: Synthesis and application as a chiral solvating agent for hydrogen-bonding based chiral discrimination in NMR

A modified Kagan's amide, N-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-3,5-dinitrobenzamide [(S)-2] has been designed, synthesized and screened as a Chiral Solvating Agent (CSA) for discrimination of optically active substrates. The proposed mode of action for recognition of chiral isomers of analytes by CSA is based on hydrogen-bonding. The 1H NMR signals of the two isomers of chiral amides, sulfoxides, α-substituted acids, α-hydroxy ketone, epoxy ketone and N-protected amino acids with (S)-2 were well resolved for practical applications of determination of optical purity. The CSA was also screened for detection of separation of signals in 19F NMR. This journal is

High-yielding metalloenzymatic dynamic kinetic resolution of fluorinated aryl alcohols

Dynamic kinetic resolution (DKR) of various fluorinated aryl alcohols by a combination of lipase-catalyzed enzymatic resolution with in situ ruthenium-catalyzed alcohol racemization is described. (R)-Selective Candida antarctica lipase B (CALB) was employed for transesterification of different fluoroaryl alcohols in DKR reactions delivering the corresponding acetates in high yield (≥97%) with excellent enantiomeric excess (≥98%).