107018-39-3

Basic information

• Product Name: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE
• Synonyms: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE;Ethyl 2-hydroxy-2-(trifluoromethyl)propionate, Ethyl 2-hydroxy-2-methyl-3,3,3-trifluoropropanoate;Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-Methyl-, ethyl ester;3,3,3-trifluoro-2-hydroxy-2-methyl-propionic acid ethyl ester
• CAS NO: 107018-39-3
• Molecular Formula: C₆H₉F₃O₃
• Molecular Weight: 186.13
• Mol File: 107018-39-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 205.8°C at 760 mmHg
• Flash Point: 78.3°C
• Appearance: /
• Density: 1.283g/cm³
• Vapor Pressure: 0.058mmHg at 25°C
• Refractive Index: 1.379
• PKA: 10.50±0.29(Predicted)
• CAS DataBase Reference: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE(107018-39-3)
• EPA Substance Registry System: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE(107018-39-3)

Safety Data

• Hazardous Substances Data: 107018-39-3(Hazardous Substances Data)

Usage

General Description

ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE is a chemical compound with the molecular formula C6H9F3O3. It is an ester, specifically an ethyl ester, and is commonly used as a flavoring agent and fragrance ingredient in the production of various consumer products such as perfumes, cosmetics, and cleaning agents. The compound is also utilized in the synthesis of pharmaceuticals and agrochemicals. ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)PROPANOATE is a colorless liquid with a fruity odor, and it is considered to be relatively stable under normal conditions. However, it can react violently with strong oxidizing agents, so proper handling and storage procedures are necessary to ensure safety.

InChI:InChI=1/C6H9F3O3/c1-3-12-4(10)5(2,11)6(7,8)9/h11H,3H2,1-2H3

Upstream product

• 13081-18-0 ethyl-3,3,3-trifluoropyruvate 
• 544-97-8 dimethyl zinc(II) 
• 64-17-5 ethanol 
• 374-35-6 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid 
• 617-35-6 2-oxo-propionic acid ethyl ester 
• 75-63-8 Bromotrifluoromethane 
• 122-51-0 orthoformic acid triethyl ester 

Downstream Products

• 1262859-63-1 (R)-2-[(R)-2-(5-bromo-2-fluoro-phenyl)-2-(2-nitro-benzenesulfonylamino)-propoxy]-3,3,3-trifluoro-2-methyl-propionic acid ethyl ester 

Relevant articles and documents

The synthesis of (R)- and (S)-α-trifluoromethyl-α-hydroxycarboxylic acids via enzymatic resolutions

Kinetic resolution of 1, 1, 1-trifluoro-2-alkanone cyanohydrin acyl derivatives with Candida rugosa lipase afforded the remaining (R)-enantiomer in high selectivity (E from 30 to >200). Candida rugosa lipases from several suppliers were compared and found

Oxazolones as potent inhibitors of 11β-hydroxysteroid dehydrogenase type 1

2,5,5-Trisubstituted oxazolones were identified as potent inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The synthesis, structure-activity relationship and metabolic stability of these compounds are presented.

Synthesis of Trifluoromethyl-substituted Methanols: a Barbier Procedure under Pressure

Synthesis of trifluoromethyl methanols can be achieved by stirring a mixture of carbonyl compound, zinc powder, and pyridine under a slight pressure of trifluoromethyl bromide.