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CAS 88981-43-5

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(3E)-1-Chloro-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

Description:
(3E)-1-Chloro-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one, with CAS number 88981-43-5, is an organic compound characterized by its unique structure that includes a chloro substituent and a cyclohexene moiety. This compound features a conjugated system with a butenone functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the chlorine atom enhances its electrophilic character, making it useful in various chemical reactions, such as nucleophilic substitutions. The bulky trimethyl groups on the cyclohexene ring can influence the compound's steric properties and stability, affecting its interactions with other molecules. Additionally, the compound may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Its physical properties, such as solubility and boiling point, would depend on the specific molecular interactions and the presence of functional groups. Overall, this compound represents a fascinating example of synthetic organic chemistry with potential applications in various fields.
Formula:C13H19ClO
InChI:InChI=1S/C13H19ClO/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7H,4-5,8-9H2,1-3H3/b7-6+
InChI key:InChIKey=DNFOYTDKFKOKES-VOTSOKGWSA-N
SMILES:C(=C/C(CCl)=O)\C=1C(C)(C)CCCC1C
Synonyms:
  • (3E)-1-Chloro-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • 3-Buten-2-one, 1-chloro-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
  • 3-Buten-2-one, 1-chloro-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
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