CAS 2097133-18-9

Methyl 4-iodo-1-methoxycyclohexanecarboxylate

Description:

Methyl 4-iodo-1-methoxycyclohexanecarboxylate is an organic compound characterized by its unique structure, which includes a cyclohexane ring substituted with a methoxy group and an iodine atom. The presence of the methoxy group (-OCH3) enhances its solubility in organic solvents, while the iodine atom contributes to its reactivity, particularly in nucleophilic substitution reactions. This compound is typically used in synthetic organic chemistry as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its molecular structure suggests it may exhibit interesting physical properties, such as moderate boiling and melting points, influenced by the steric effects of the cyclohexane ring and the substituents. Additionally, the iodine atom can impart unique spectroscopic characteristics, making it detectable by techniques such as NMR and mass spectrometry. Safety considerations should be taken into account due to the presence of iodine, which can be hazardous in certain concentrations. Overall, Methyl 4-iodo-1-methoxycyclohexanecarboxylate is a valuable compound in the field of organic synthesis.

Formula: C₉H₁₅IO₃

InChI: InChI=1S/C9H15IO3/c1-12-8(11)9(13-2)5-3-7(10)4-6-9/h7H,3-6H2,1-2H3

InChI key: InChIKey=XNIKLHLHHWFCPQ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1(OC)CCC(I)CC1

Synonyms:

• Methyl 4-iodo-1-methoxycyclohexanecarboxylate
• Cyclohexanecarboxylic acid, 4-iodo-1-methoxy-, methyl ester