CAS 923020-95-5

Cyclohexanecarboxylic acid, 1-(chlorocarbonyl)-, methyl ester

Description:

Cyclohexanecarboxylic acid, 1-(chlorocarbonyl)-, methyl ester is an organic compound characterized by its cyclohexane ring structure, which is substituted with a carboxylic acid group and a chlorocarbonyl moiety. The presence of the methyl ester functional group indicates that it is an ester derivative, which typically enhances its solubility in organic solvents. This compound is likely to exhibit moderate polarity due to the carboxylic acid and ester functionalities, while the cyclohexane ring contributes to its hydrophobic characteristics. The chlorocarbonyl group introduces reactivity, making it a potential intermediate in organic synthesis, particularly in the formation of amides or other derivatives through nucleophilic substitution reactions. Additionally, the compound may possess specific physical properties such as a distinct boiling point and melting point, influenced by its molecular structure and functional groups. Safety considerations should be taken into account due to the presence of chlorine, which can impart toxicity and environmental concerns. Overall, this compound is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or agrochemicals.

Formula: C₉H₁₃ClO₃

InChI: InChI=1S/C9H13ClO3/c1-13-8(12)9(7(10)11)5-3-2-4-6-9/h2-6H2,1H3

InChI key: InChIKey=QKXCDJBRLBJDLG-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1(C(Cl)=O)CCCCC1

Synonyms:

• Methyl 1-(chlorocarbonyl)cyclohexanecarboxylate
• Cyclohexanecarboxylic acid, 1-(chlorocarbonyl)-, methyl ester