CAS 951886-89-8

Ethyl 2-chloro-4-(methylthio)-δ-oxobenzenepentanoate

Description:

Ethyl 2-chloro-4-(methylthio)-δ-oxobenzenepentanoate, with the CAS number 951886-89-8, is a chemical compound that belongs to the class of esters. It features a complex structure characterized by the presence of a chloro group, a methylthio group, and a δ-oxobenzene moiety, which contributes to its reactivity and potential applications in organic synthesis. The ethyl ester functional group indicates that it is likely to be a liquid at room temperature, exhibiting moderate volatility. The presence of the chloro substituent can enhance its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, the methylthio group may impart unique electronic properties, influencing the compound's behavior in biological systems or as a reagent in synthetic chemistry. Overall, this compound's unique structural features suggest potential utility in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research and characterization.

Formula: C₁₄H₁₇ClO₃S

InChI: InChI=1S/C14H17ClO3S/c1-3-18-14(17)6-4-5-13(16)11-8-7-10(19-2)9-12(11)15/h7-9H,3-6H2,1-2H3

InChI key: InChIKey=KCMQFGOYOAKXCQ-UHFFFAOYSA-N

SMILES: C(CCCC(OCC)=O)(=O)C1=C(Cl)C=C(SC)C=C1

Synonyms:

• Benzenepentanoic acid, 2-chloro-4-(methylthio)-δ-oxo-, ethyl ester
• Ethyl 2-chloro-4-(methylthio)-δ-oxobenzenepentanoate

Ethyl 5-[2-Chloro-4-(methylthio)phenyl]-5-oxovalerate

CAS: 951886-89-8

Formula: C₁₄H₁₇ClO₃S

Purity: 97.0%

Molecular weight: 300.8

Ref: 10-F208116