CAS 898786-89-5

1-[3-(Acetyloxy)phenyl]-4-chloro-1-butanone

Description:

1-[3-(Acetyloxy)phenyl]-4-chloro-1-butanone, with the CAS number 898786-89-5, is an organic compound characterized by its unique functional groups and structural features. It contains a butanone backbone, which is a ketone, and is substituted with a chloro group and an acetyloxy group on the phenyl ring. The presence of the acetyloxy group suggests that it may participate in esterification reactions, while the chloro substituent can influence its reactivity and solubility. This compound is likely to exhibit moderate polarity due to the combination of hydrophobic hydrocarbon chains and polar functional groups. Its molecular structure may confer specific biological activities, making it of interest in medicinal chemistry and drug development. Additionally, the compound's stability, solubility in organic solvents, and potential reactivity with nucleophiles or electrophiles can be significant for its applications in synthesis and research. Overall, 1-[3-(Acetyloxy)phenyl]-4-chloro-1-butanone represents a versatile chemical entity with potential utility in various chemical and pharmaceutical contexts.

Formula: C₁₂H₁₃ClO₃

InChI: InChI=1/C12H13ClO3/c1-9(14)16-11-5-2-4-10(8-11)12(15)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3

InChI key: InChIKey=GISMKOICDMQJSE-UHFFFAOYSA-N

SMILES: C(CCCCl)(=O)C1=CC(OC(C)=O)=CC=C1

Synonyms:

• 1-[3-(Acetyloxy)phenyl]-4-chloro-1-butanone
• 1-Butanone, 1-[3-(acetyloxy)phenyl]-4-chloro-