121303-76-2

Basic information

• Product Name: ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE
• Synonyms: ETHYL-3-(N-METHYLAMINO)-4,4,4 TRIFLUOROCROTONATE;ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE;3-METHYLAMINO-4,4,4-TRIFLUOROCROTONIC ETHYL ESTER;3-Methylamino-4,4,4-trifluorocrotonic acid ethyl ester;4,4,4-Trifluoro-3-(methylamino)-crotonicacidethy;2-Butenoic acid, 3-(MethylaMino)-4,4,4-trifluoro-, ethyl ester;Ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate
• CAS NO: 121303-76-2
• Molecular Formula: C₇H₁₀F₃NO₂
• Molecular Weight: 197.16
• EINECS: -0
• Mol File: 121303-76-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 221.108 °C at 760 mmHg
• Flash Point: 87.523 °C
• Appearance: /
• Density: 1.186 g/cm³
• Vapor Pressure: 0.109mmHg at 25°C
• Refractive Index: 1.4336
• Storage Temp.: 2-8°C(protect from light)
• PKA: 1.22±0.70(Predicted)
• CAS DataBase Reference: ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE(121303-76-2)
• EPA Substance Registry System: ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE(121303-76-2)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 121303-76-2(Hazardous Substances Data)

Usage

General Description

ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE is a chemical compound with the formula C7H10F3NO2. It is a colorless liquid with a molecular weight of 199.15 g/mol. ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE is used in organic synthesis and pharmaceutical research as a reagent and intermediate. It is known for its ability to participate in various chemical reactions, particularly in the formation of complex organic molecules.ETHYL 3-METHYLAMINO-4,4,4-TRIFLUOROCROTONATE is commonly used in the development of new pharmaceuticals and agrochemicals due to its unique structural properties and reactivity.

InChI:InChI=1/C7H10F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4-

Upstream product

• 383-63-1 ethyl trifluoroacetate, 
• 141-78-6 ethyl acetate 
• 74-89-5 methylamine 

Downstream Products

• 134605-64-4 butafenacil 
• 372137-35-4 saflufenacil 
• 650598-10-0 3-(4-chloro-6-fluoro-2-methoxy-3-nitrophenyl)-1-methyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one 
• 169467-04-3 1-(4-cyano-2-fluoro-5-ethylsulphonylamino-phenyl)-3,6-dihydro-2-thio-6-oxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidine 

Relevant articles and documents

METHOD FOR PRODUCING 3-AMINO-4,4,4-TRIFLUOROCROTONIC ACID ESTERS

The invention relates to a method for producing 3-amino-4,4,4-trifluorocrotonic acid esters of formula (I) or their E/Z isomers or tautomeric forms, whereby R1 and R2, independent of one another, represent hydrogen, an optionally substituted linear C1-C4 alkyl radical or an optionally substituted benzyl radical, and R3 represents methyl or ethyl. The inventive method is characterized in that: a) an alkyl trifluoroacetate is reacted with an alkyl acetate of formula CH3-CO-OR3 and with an alkali metal alcoholate to form an enolate of a trifluoroacetoacetic acid ester of formula (II), whereby M represents sodium or potassium, and R3 has the aforementioned meaning, and afterwards; b) the alkali enolate of the trifluoroacetoacetic acid ester from step a) can, without further purification, directly react with an amine of formula NHR1R2 in the presence of an acid to form 3-amino-4,4,4-trifluorocrotonic acid esters. This two-step method enables the production of 3-amino-4,4,4- trifluorocrotonic acid esters in high yields without resulting in the formation of significant byproducts.