83643-84-9

Basic information

• Product Name: METHYL 4,4,4-TRIFLUOROACETOACETATE
• Synonyms: METHYL 4,4,4-TRIFLUOROACETOACETATE: TECH., 90%;4,4,4-TRIFLUOROACETOACETIC ACID METHYL ESTER;METHYL 3-OXO-4,4,4-TRIFLUOROBUTYRATE;METHYL TRIFLUOROACETOACETATE;METHYL 4,4,4-TRIFLUORO-3-OXOBUTANOATE;METHYL 4,4,4-TRIFLUOROACETOACETATE;TRIFLUOROACETOACETIC ACID METHYL ESTER;Methyl 4,4,4-trifluoroacetoacetate, 97+%
• CAS NO: 83643-84-9
• Molecular Formula: C₅H₅F₃O₃
• Molecular Weight: 170.09
• Product Categories: Fluorinated Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry
• Mol File: 83643-84-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 19 °C
• Boiling Point: 118°C
• Flash Point: 40°C
• Appearance: /
• Density: 1.335 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.372
• BRN: 1777343
• CAS DataBase Reference: METHYL 4,4,4-TRIFLUOROACETOACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4,4,4-TRIFLUOROACETOACETATE(83643-84-9)
• EPA Substance Registry System: METHYL 4,4,4-TRIFLUOROACETOACETATE(83643-84-9)

Safety Data

• Hazard Codes: Xi,F
• Statements: 10-36/37/38-36/38
• Safety Statements: 26-36-33-15
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 83643-84-9(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless to light yellow liquid

Uses

It is used as a drug intermediate. It is a cyclization, oxidation and halogenating reaction catalyst.

Upstream product

• 106775-98-8 2-Chloro-4,4,4-trifluoro-3-oxo-butyric acid methyl ester 
• 693817-83-3 2,2-Dimethyl-5-(2,2,2-trifluoro-1-hydroxy-ethylidene)-[1,3]dioxane-4,6-dione 
• 93032-04-3 2,2-Dibromo-4,4,4-trifluoro-3-oxo-butyric acid methyl ester 

Downstream Products

• 116383-70-1 4-Oxo-2,6-bis-trifluoromethyl-4H-pyran-3-carboxylic acid methyl ester 
• 2070-87-3 4-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one 
• 132368-88-8 Methyl 5-methyl-2-(trifluoroacetyl)-2-hexenoate 
• 209731-67-9 3-(3-cyano-phenyl)-5-trifluoromethyl-isoxazole-4-carboxylic acid methyl ester 
• 289059-56-9 4-(3,4-difluorophenyl)-2-oxo-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 
• 119179-66-7 6-chloro-7-hydroxy-4-(trifluoromethyl)-2H-chromen-2-one 
• 83097-87-4 benzyl 4,4,4-trifluoroacetoacetate 
• 169605-23-6 methyl (R,S)-3-amino-4,4,4-trifluorobutyrate hydrochloride 
• 748746-28-3 3-Amino-4,4,4-trifluoro-butyric acid methyl ester 
• 153123-85-4 methyl 4-(chlorodifluoromethyl)-2-hydroxy-6-(trifluoromethyl)pyridine-5-carboxylate 
• 153123-84-3 methyl 2-hydroxy-4,6-bis(trifluoromethyl)pyridine-5-carboxylate 
• 153123-88-7 methyl 2-methoxy-4,6-bis(trifluoromethyl)pyridine-5-carboxylate 

Relevant articles and documents

Electrochemical synthesis of versatile ammonium oxides under metal catalyst-, exogenous-oxidant-, and exogenous-electrolyte-free conditions

An electrochemical oxidative cross-coupling reaction between 2.5-substituted-pyrazolin-5-ones and ammonium thiocyanate has been developed, which resulted in a series of unprecedented cross-coupling products under metal catalyst-, exogenous-oxidant-, and exogenous-electrolyte-free conditions. It is worth noting that since the resulting cross-coupling products are nearly insoluble in MeCN, the pure product could be afforded without silica gel column purification. In addition, the prepared ammonium oxides are versatile building blocks for synthesizing functionalized pyrazole derivatives.