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CAS 131447-90-0

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Cyclohexanecarbonitrile, 3-(acetyloxy)-3-methyl-6-(1-methylethyl)-2-(3-oxobutyl)-, [1S-(1α,2α,3α,6β)]-

Description:
Cyclohexanecarbonitrile, 3-(acetyloxy)-3-methyl-6-(1-methylethyl)-2-(3-oxobutyl)-, with the CAS number 131447-90-0, is a complex organic compound characterized by its cyclic structure and multiple functional groups. It features a cyclohexane ring substituted with a carbonitrile group, which contributes to its reactivity and potential applications in organic synthesis. The presence of an acetyloxy group indicates that it may participate in esterification reactions, while the methyl and isopropyl substituents suggest steric hindrance that could influence its chemical behavior. Additionally, the 3-oxobutyl group introduces a ketone functionality, which can engage in various chemical transformations, including nucleophilic additions. This compound's stereochemistry, denoted by the specific configuration, may affect its biological activity and interactions with other molecules. Overall, the unique combination of functional groups and structural features makes this compound of interest in fields such as medicinal chemistry and materials science, where it could serve as a precursor or intermediate in the synthesis of more complex molecules.
Formula:C17H27NO3
InChI:InChI=1S/C17H27NO3/c1-11(2)14-8-9-17(5,21-13(4)20)16(15(14)10-18)7-6-12(3)19/h11,14-16H,6-9H2,1-5H3/t14-,15-,16-,17+/m0/s1
InChI key:InChIKey=OETYWDPXRCDDQP-LUKYLMHMSA-N
SMILES:C(CC(C)=O)[C@H]1[C@@H](C#N)[C@H](C(C)C)CC[C@]1(OC(C)=O)C
Synonyms:
  • Cyclohexanecarbonitrile, 3-(acetyloxy)-3-methyl-6-(1-methylethyl)-2-(3-oxobutyl)-, [1S-(1α,2α,3α,6β)]-
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