91600-33-8

Basic information

• Product Name: ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE
• Synonyms: ETHYL 3-HYDROXY-2-METHYL-4,4,4-TRIFLUOROBUTYRATE;ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE;Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate~3-Hydroxy-2-methyl-4,4,4-trifluorobutyric acid ethyl ester;3-hydroxy-2-methyl-4,4,4-trifluorobutyric acid ethyl ester;Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate 95%;Ethyl2-methyl-3-hydroxy-4,4,4-trifluorobutyrate95%;Ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutyrate
• CAS NO: 91600-33-8
• Molecular Formula: C7H11F3O3
• Molecular Weight: 200.16
• Mol File: 91600-33-8.mol

Chemical Properties

• Boiling Point: 180 °C
• Flash Point: 180-184°C
• Appearance: /
• Density: 1.233 g/cm³
• Vapor Pressure: 0.0235mmHg at 25°C
• Refractive Index: 1.386
• PKA: 11.73±0.20(Predicted)
• BRN: 6194166
• CAS DataBase Reference: ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE(91600-33-8)
• EPA Substance Registry System: ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE(91600-33-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 91600-33-8(Hazardous Substances Data)

Usage

Uses

Used in Food Industry:
ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE is used as a flavoring agent for its distinctive fruity scent, enhancing the taste and aroma of various food products.
Used in Pharmaceutical Industry:
ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE is used as an intermediate in the synthesis of pharmaceuticals, contributing to the development of new medications and organic compounds.
Used in Organic Compounds Synthesis:
ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE is used as a key intermediate in the synthesis of various organic compounds, playing a crucial role in the production of specialty chemicals and materials.
Safety Precautions:
It is important to handle ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE with care, as it can be harmful if ingested, inhaled, or comes into contact with the skin. Proper safety measures and precautions should be taken to minimize potential risks during its use in different applications.

InChI:InChI=1/C7H11F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4-5,11H,3H2,1-2H3

Upstream product

• 344-00-3 ethyl 2-methyl-4,4,4-trifluoroacetoacetate 
• 7440-06-4 platinum 
• 75-90-1 2,2,2-Trifluoroacetaldehyde 
• 535-11-5 Ethyl 2-bromopropionate 
• 74-88-4 methyl iodide 

Relevant articles and documents

Process for substituted 3-hydroxybutyrate esters

The present invention provides a solventless process for the catalytic hydrogenation of esters of 4,4,4-trihaloacetoacetic acid using a platinum catalyst in the presence of an acid or base co-catalyst to provide the analagous 3-hydroxybutyrate ester. Such 3-hydroxybutyrate esters are useful as solvents, cleaners or fine chemical intermediates.

Peptidase inhibitors

This invention relates to analogs of peptidase substrates in which the amide group containing the scissile amide bond of the substrate peptide has been replaced by an activated electrophilic ketone moiety. These analogs of the peptidase substrates provide specific enzyme inhibitors for a variety of proteases, the inhibition of which will have useful physiological consequences in a variety of disease states.

Reaction of trifluoroacetaldehyde with some bromoesters

Reformatsky reactions of trifluoroacetaldehyde with lower bromoesters gave their corresponding adducts.The reaction of trifluoroacetaldehyde with methyl 2-(bromomethyl)acrylate gave γ-trifluoromethyl-α-methylene-γ-butyrolactone.

PREPARATION OF TRIFLUOROMETHYLATED ALLYLIC ALCOHOLS FROM TRIFLUOROACETALDEHYDE AND ORGANOMETALLIC COMPOUNDS

A number of allylic alcohols bearing a trifluoromethyl group at the α- or γ-position, and α-trifluoromethylated γ-enols and -ynols were prepared by the reaction of trifluoroacetaldehyde with a variety of organometallic compounds.Most of the Reformatsky- or Grignard-type reactions required promotion by ultrasonic irradiation.