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CAS 797054-19-4

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(2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one

Description:
The chemical substance with the name "(2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one" and CAS number "797054-19-4" is a complex organic compound characterized by its unique structural features. It contains a benzopyran core, which is a fused ring system that includes a benzene ring and a pyran ring. The presence of a fluorine atom at the 6-position contributes to its potential biological activity and influences its chemical reactivity. The dioxolane moiety, characterized by a five-membered ring containing two oxygen atoms, adds to the compound's stereochemistry and may affect its solubility and interaction with biological targets. The specific stereochemistry indicated by the (2S) and (4R) designations suggests that the compound has chiral centers, which can significantly impact its pharmacological properties. Overall, this compound may be of interest in medicinal chemistry and drug development due to its structural complexity and potential biological applications.
Formula:C14H15FO4
InChI:InChI=1S/C14H15FO4/c1-14(2)17-7-13(19-14)12-6-10(16)9-5-8(15)3-4-11(9)18-12/h3-5,12-13H,6-7H2,1-2H3/t12-,13+/m0/s1
InChI key:InChIKey=MYQKUOXZBKPFPP-QWHCGFSZSA-N
SMILES:O=C1C[C@](OC=2C1=CC(F)=CC2)([C@]3(COC(C)(C)O3)[H])[H]
Synonyms:
  • 4H-1-Benzopyran-4-one, 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,3-dihydro-, (2S)-
  • (2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
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