CAS 108329-93-7

Methyl (1S)-3-oxocyclohexaneacetate

Description:

Methyl (1S)-3-oxocyclohexaneacetate, with the CAS number 108329-93-7, is an organic compound characterized by its ester functional group and a cyclohexane ring. This compound features a ketone group adjacent to the ester, which contributes to its reactivity and potential applications in organic synthesis. The presence of the methyl ester indicates that it can participate in various chemical reactions, such as hydrolysis and transesterification. Its stereochemistry, denoted by the (1S) configuration, suggests specific spatial arrangements of its atoms, which can influence its biological activity and interactions. Methyl (1S)-3-oxocyclohexaneacetate may be utilized in the synthesis of more complex molecules, particularly in the pharmaceutical and agrochemical industries. Additionally, its physical properties, such as solubility and boiling point, are influenced by the molecular structure, making it important for determining its behavior in different environments. Overall, this compound exemplifies the diverse chemistry of esters and ketones, with potential applications in various fields.

Formula: C₉H₁₄O₃

InChI: InChI=1S/C9H14O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7H,2-6H2,1H3/t7-/m0/s1

InChI key: InChIKey=XLWYQNLUACCYOT-ZETCQYMHSA-N

SMILES: C(C(OC)=O)[C@@H]1CC(=O)CCC1

Synonyms:

• Cyclohexaneacetic acid, 3-oxo-, methyl ester, (S)-
• Cyclohexaneacetic acid, 3-oxo-, methyl ester, (1S)-
• Methyl (1S)-3-oxocyclohexaneacetate
• (S)-(-)-Methyl 3-oxocyclohexylacetate