85153-67-9

Basic information

• Product Name: ethyl 2,2,4-trichloro-3-oxobutyrate
• Synonyms: ethyl 2,2,4-trichloro-3-oxobutyrate;2,2,4-Trichloro-3-oxobutanoic acid ethyl ester;Einecs 285-850-2
• CAS NO: 85153-67-9
• Molecular Formula: C₆H₇Cl₃O₃
• Molecular Weight: 233.47698
• EINECS: 285-850-2
• Mol File: 85153-67-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 245.6°C at 760 mmHg
• Flash Point: 97.6°C
• Appearance: /
• Density: 1.437g/cm³
• Vapor Pressure: 0.0285mmHg at 25°C
• Refractive Index: 1.48
• CAS DataBase Reference: ethyl 2,2,4-trichloro-3-oxobutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2,2,4-trichloro-3-oxobutyrate(85153-67-9)
• EPA Substance Registry System: ethyl 2,2,4-trichloro-3-oxobutyrate(85153-67-9)

Safety Data

• Hazardous Substances Data: 85153-67-9(Hazardous Substances Data)

Usage

General Description

Ethyl 2,2,4-trichloro-3-oxobutyrate, also known as ethyl trichloroacetoacetate, is a chemical compound with the molecular formula C6H7Cl3O3. It is a highly reactive and combustible compound with a strong odor. This chemical is commonly used as an intermediate in the production of agrochemicals, pharmaceuticals, and other organic compounds. It is also used as a building block in the synthesis of various organic compounds. However, ethyl 2,2,4-trichloro-3-oxobutyrate is considered to be harmful if swallowed, inhaled, or in contact with the skin, and it may cause irritation to the eyes and skin. Therefore, it should be handled and used with caution in a controlled environment.

InChI:InChI=1/C6H7Cl3O3/c1-2-12-5(11)6(8,9)4(10)3-7/h2-3H2,1H3

Upstream product

• 6134-66-3 ethyl 2,2-dichloroacetoacetate 
• 145727-39-5 1-ethoxycarbonyl-1,1-dichloro-2-trimethylsilyloxy-2-propene 
• 141-97-9 ethyl acetoacetate 
• 609-15-4 ethyl 2-chloro-3-oxo-butyrate 

Relevant articles and documents

SILYLATION OF DICHLOROACETYLACETONE AND DICHLOROACETOACETIC ACID BY SILICON CHLORIDES

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CHLORINATION OF ACETYLACETONE AND ACETOACETIC AND MALONIC ESTERS.

To develop a laboratory procedure for the one-stage chlorination of ME, AAcE, and AA, the authors studied the action of gaseous chlorine on these compounds. We found that when the chlorination is carried out at 55-60 degree C, the formation of side products is reduced to a minimum. The reaction begins at 35-40 degree C, and then proceeds exothermally, and it can be easily controlled by external cooling or by decrease in the rate of chlorine input. The optimal reaction regime lies within 55-60 degree C. Further increase in temperature leads to the formation of trichloro derivatives and more extensive chlorination. If the chlorination reaction is carried out for 7-8 h at 55-60 degree C, dichloro derivatives of ME, AAcE, and AA are mainly formed, and the yields in the most favorable experiments are equal to (%): DCM 93, DCAAc 87, DCAA 75. Under these conditions, only inappreciable amounts of monochloro derivatives and more extensively chlorinated products are present in the reaction mixture. The authors isolated mono-, di-, and trichloro derivatives of ME, AAcE and AA.