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CAS 96481-32-2

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Bicyclo[2.2.2]octane-1-carboxylic acid, 4-ethynyl-, methyl ester

Description:
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-ethynyl-, methyl ester, identified by CAS number 96481-32-2, is an organic compound characterized by its bicyclic structure, which consists of a bicyclo[2.2.2]octane framework. This compound features a carboxylic acid functional group that is esterified with a methyl group, and it also contains an ethynyl group at the 4-position of the bicyclic system. The presence of the ethynyl group introduces a triple bond, contributing to the compound's reactivity and potential applications in organic synthesis. The bicyclic structure provides unique steric and electronic properties, making it of interest in various chemical reactions, including polymerization and as a building block in the synthesis of more complex molecules. Additionally, the compound's solubility and stability can vary depending on the solvent and conditions, which are important factors to consider in practical applications. Overall, this compound exemplifies the diverse chemistry associated with bicyclic systems and functionalized esters.
Formula:C12H16O2
InChI:InChI=1S/C12H16O2/c1-3-11-4-7-12(8-5-11,9-6-11)10(13)14-2/h1H,4-9H2,2H3
InChI key:InChIKey=HIVNICWVZINQBR-UHFFFAOYSA-N
SMILES:C(OC)(=O)C12CCC(C#C)(CC1)CC2
Synonyms:
  • Bicyclo[2.2.2]octane-1-carboxylic acid, 4-ethynyl-, methyl ester
  • Methyl 4-Ethynylbicyclo[2.2.2]octane-1-carboxylate
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