85694-31-1

Basic information

• Product Name: METHYL 4,4,4-TRIFLUOROCROTONATE
• Synonyms: 4,4,4-Trifluoro-2-butenoic acid methyl ester;Methyl 4,4,4-trifluorobut-2-enoate, Methyl 3-(trifluoromethyl)acrylate;METHYL 4,4,4-TRIFLUOROCROTONATE;Methyl (2E)-4,4,4-trifluoro-2-butenoate;Methyl 4,4,4-trifluorocrotonate 95%;Methyl4,4,4-trifluorocrotonate95%
• CAS NO: 85694-31-1
• Molecular Formula: C₅H₅F₃O₂
• Molecular Weight: 154.09
• Mol File: 85694-31-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 95°C
• Flash Point: 94-95°C
• Appearance: /
• Density: 1.237
• Vapor Pressure: 0.000105mmHg at 25°C
• Refractive Index: 1.3635
• CAS DataBase Reference: METHYL 4,4,4-TRIFLUOROCROTONATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4,4,4-TRIFLUOROCROTONATE(85694-31-1)
• EPA Substance Registry System: METHYL 4,4,4-TRIFLUOROCROTONATE(85694-31-1)

Safety Data

• Hazard Codes: Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36
• RIDADR: 3272
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 85694-31-1(Hazardous Substances Data)

Usage

General Description

Methyl 4,4,4-trifluorocrotonate is a chemical compound with the molecular formula C5H5F3O2. It is a colorless liquid with a sharp odor and is commonly used in organic synthesis and as a building block in the production of pharmaceuticals and agrochemicals. This chemical is highly reactive and can undergo various chemical reactions including esterification, alkylation, and hydrogenation. It is also known for its strong electron-withdrawing properties due to the presence of three fluorine atoms, making it an important reagent in the formation of carbon-carbon and carbon-heteroatom bonds. Methyl 4,4,4-trifluorocrotonate is considered hazardous and should be handled with care due to its potential to cause respiratory and skin irritation.

InChI:InChI=1/C12H11F3N2S/c1-16-6-10-7-18-11(17-10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,16H,6H2,1H3

Upstream product

• 83643-84-9 methyl 4,4,4-trifluoroacetoacetate 

Relevant articles and documents

Synthesis method of 2-pyrazine carboxylic ester compound

The invention provides a synthetic method of a 2-pyrazine carboxylic ester compound. The synthesis method comprises the following steps: S1, carrying out addition reaction on a compound 1 and glyoxal dioxime under the action of a Lewis acid catalyst to obtain an intermediate 1; and step S2, carrying out first dehydration reaction on the intermediate 1 to obtain the 2-pyrazine carboxylic ester compound, wherein the structural general formulas of the compound 1, the intermediate 1 and the 2-pyrazine carboxylic ester compound are sequentially shown in the specification, R1 being a C1-C15 substituted or unsubstituted alkyl group, and R2 being a C1-C10 alkyl group. The preparation cost (or commercially available price) of the initial raw material compound 1 adopted by the invention is generally far lower than that of a trifluoropyruvate methyl ester compound. Compared with the traditional preparation method of 3-trifluoromethyl-2-methyl pyrazinecarboxylate, the method has the advantages of mild reaction conditions, simple operation and wide raw material sources, avoids the use of an expensive coupling catalyst, and greatly reduces the cost.