26717-84-0

Basic information

• Product Name: Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate
• Synonyms: 2-BUTENOIC ACID, 4,4,4-TRIFLUORO-3-METHOXY-, ETHYL ESTER;3-METHOXY-4,4,4-TRIFLUOROCROTONIC ACID ETHYL ESTER;ETHYL 3-METHOXY-4,4,4-TRIFLUORO-2-BUTENOATE;ETHYL 4,4,4-TRIFLUORO-3-METHOXYBUT-2-ENOATE;3-methoxy-4,4,4-trifluoro-2-butenoic acid ethyl ester
• CAS NO: 26717-84-0
• Molecular Formula: C7H9F3O3
• Molecular Weight: 198.14
• Mol File: 26717-84-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 48 °C
• Flash Point: 86°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.384
• CAS DataBase Reference: Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate(26717-84-0)
• EPA Substance Registry System: Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate(26717-84-0)

Safety Data

• Hazardous Substances Data: 26717-84-0(Hazardous Substances Data)

Usage

General Description

Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate is an organic compound with the chemical formula C8H11F3O3. It is a colorless liquid with a fruity odor and is commonly used as a flavor and fragrance ingredient. This chemical is typically utilized in the production of various food and beverage products, including candies, baked goods, and soft drinks, as well as in the manufacturing of perfumes and other personal care products. Additionally, it has been studied for its potential pharmaceutical applications, including as an anti-inflammatory and anti-cancer agent. Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate is considered to be relatively stable and non-reactive under normal conditions, but it should still be handled and stored with care due to its potential health and environmental hazards.

InChI:InChI=1/C7H9F3O3/c1-3-13-6(11)4-5(12-2)7(8,9)10/h4H,3H2,1-2H3/b5-4-

Upstream product

• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 80-48-8 methyl p-toluene sulfonate 
• 116046-53-8 2-trifluoromethyl-3-oxobutanoic acid ethyl ester 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 119022-51-4 5-trifluoromethyl-3-hydroxy-1-methylpyrazole 
• 157162-16-8 methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate 

Relevant articles and documents

Preparation of 4-hydroxy-2-trifluoromethylthiophene: A novel bioisostere of α,α,α-trifluoro-m-cresol

A simple and convenient four-step synthesis of 4-hydroxy-2- trifluoromethylthiophene (1) a novel bioisostere of α,α,α- trifluoro-m-cresol is reported. The key step is the condensation between ethyl 3-methoxy-4,4,4-trifluorocrotonate and methyl thioglycolate to form methyl 3-hydroxy-5- trifluoromethylthiophene-2-carboxylate (6). Hydrolysis of the ester followed by decarboxylation furnishes 1. Multi-hundred gram quantities of 1 have been obtained utilizing the present procedure.

Novel Perfluoroalkyl-Substituted Pyrazoles. 1. Hydroxypyrazoles

Addition of methylhydrazine to a variety of haloalkyl-substituted α,β-unsaturated esters gives 1,5-disubstituted 3-hydroxypyrazoles, in contrast to the more common synthesis from β-ketoesters, which gives 1,3-disubstituted 5-hydroxypyrazoles.This reaction is used to prepare several novel pyrazoles bearing haloalkyl substituents.Criteria for assignment of structures have been developed based on physical and spectroscopic properties of the isomers.The regiochemical preference in this addition is considered on the basis of steric, electronic, and mechanistic factors.