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CAS 144850-45-3

:

(1E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one

Description:
The chemical substance known as (1E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one, with the CAS number 144850-45-3, is an organic compound characterized by its unique structural features. It contains a benzodioxole moiety, which contributes to its aromatic properties and potential biological activity. The presence of a pentenone functional group indicates that it has both alkene and ketone functionalities, which can influence its reactivity and interactions in various chemical environments. This compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic aromatic ring and aliphatic chain, which may affect its solubility in organic solvents. Additionally, the presence of multiple functional groups suggests potential for diverse chemical reactions, including electrophilic additions and conjugate additions. Its structural complexity may also imply interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Overall, this compound's unique characteristics position it as a subject of interest in both synthetic and applied chemistry contexts.
Formula:C14H16O3
InChI:InChI=1S/C14H16O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8H,9H2,1-3H3/b7-5+
InChI key:InChIKey=LXFNQCGNCFRKRR-FNORWQNLSA-N
SMILES:C(=C/C(C(C)(C)C)=O)\C=1C=C2C(=CC1)OCO2
Synonyms:
  • (1E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one
  • 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, (E)-
  • 1-penten-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, (1E)-
  • (1E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
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