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CAS 885698-71-5

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6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

Description:
6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is a chemical compound characterized by its unique structural features, which include a fluorine atom and a boron-containing dioxaborolane moiety. The presence of the fluorine atom typically enhances the compound's lipophilicity and can influence its biological activity. The indazole core contributes to the compound's potential as a pharmacophore, often associated with various biological activities, including anti-inflammatory and anticancer properties. The dioxaborolane group is notable for its ability to form stable complexes with various substrates, making it useful in synthetic chemistry and medicinal applications. This compound is likely to be a solid at room temperature and may exhibit moderate solubility in organic solvents. Its reactivity can be influenced by the presence of the boron atom, which can participate in various chemical reactions, including cross-coupling reactions. Overall, this compound's unique structure positions it as a candidate for further research in medicinal chemistry and material science.
Formula:C13H16BFN2O2
InChI:InChI=1S/C13H16BFN2O2/c1-12(2)13(3,4)19-14(18-12)10-5-8(15)6-11-9(10)7-16-17-11/h5-7H,1-4H3,(H,16,17)
InChI key:InChIKey=OTZMRGFPBXSAKG-UHFFFAOYSA-N
SMILES:FC1=CC(=C2C(=C1)NN=C2)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • (6-Fluoro-1H-indazol-4-yl)boronic acid pinacol ester
  • 6-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
  • 6-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)indazole
  • 1H-Indazole, 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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