CAS 3702-98-5

Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester

Description:

Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester, with CAS number 3702-98-5, is an organic compound characterized by its ester functional group and the presence of multiple chlorine atoms. This compound features a butanoic acid backbone, which is a four-carbon carboxylic acid, modified by the presence of a trichloro substituent at the 4-position and a keto group at the 3-position. The ethyl ester indicates that the butanoic acid is esterified with an ethyl group, enhancing its volatility and solubility in organic solvents. The presence of chlorine atoms typically imparts unique chemical properties, such as increased reactivity and potential biological activity. This compound may be used in various applications, including as an intermediate in organic synthesis or in agrochemical formulations. However, due to the presence of chlorine, it may also exhibit environmental persistence and toxicity, necessitating careful handling and assessment of its ecological impact. Overall, this compound exemplifies the complexity and diversity of organic chemistry, particularly in the realm of halogenated compounds.

Formula: C₆H₇Cl₃O₃

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

InChI key: InChIKey=XGIRWPYENXRJMZ-UHFFFAOYSA-N

SMILES: C(C(C(Cl)(Cl)Cl)=O)C(OCC)=O

Synonyms:

• 4,4,4-Trichloroacetic acid ethyl ester
• Acetoacetic acid, 4,4,4-trichloro-, ethyl ester
• Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester
• Ethyl 4,4,4-Trichloro-3-Oxobutanoate
• Ethyl 4,4,4-trichloroacetoacetate

Ethyl 4,4,4-Trichloroacetoacetate

CAS: 3702-98-5

Formula: C₆H₇Cl₃O₃

Purity: >97.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 233.47

Ref: 3B-T1285

4,4,4-Trichloroacetoacetic Acid Ethyl Ester

CAS: 3702-98-5

Formula: C₆H₇Cl₃O₃

Purity: 97%

Color and Shape: Liquid

Molecular weight: 233.4770

Ref: IN-DA003KCQ

Ethyl 4,4,4-Trichloroacetoacetate

CAS: 3702-98-5

Ethyl 4,4,4-Trichloroacetoacetate

Purity: 95%

Molecular weight: 233.48g/mol

Ref: 54-OR1004137

Ethyl 4,4,4-Trichloroacetoacetate

CAS: 3702-98-5

Ethyl 4,4,4-trichloroacetoacetate is a chloroalkyl compound that belongs to the class of activated esters. It is synthesized by the reaction of ethyl alcohol with chloride and potassium hydroxide in the presence of a base. The synthetic method for this compound was first developed in the mid-1930s by German chemists. This compound also has been used in the synthesis of coumarin derivatives as well as a catalyst in organic reactions. Ethyl 4,4,4-trichloroacetoacetate has been shown to be effective in treating neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease.

Formula: C₆H₇Cl₃O₃

Purity: Min. 95%

Color and Shape: Colourless To Pale Yellow Liquid

Molecular weight: 233.48 g/mol

Ref: 3D-FE60063

Ethyl 4,4,4-Trichloroacetoacetate

CAS: 3702-98-5

Formula: C₆H₇Cl₃O₃

Purity: 97.0%

Color and Shape: Liquid

Molecular weight: 233.47

Ref: 10-F403051