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CAS 1333319-72-4

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1,1-Dimethylethyl 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate

Description:
1,1-Dimethylethyl 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate, with CAS number 1333319-72-4, is a chemical compound characterized by its complex structure, which includes an indazole core, a carboxylate functional group, and a boron-containing moiety. The presence of the 6-fluoro substituent indicates that it has potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the influence of fluorine on biological activity and lipophilicity. The tetramethyl-1,3,2-dioxaborolane group suggests that this compound may be involved in boron chemistry, which is often utilized in organic synthesis and drug development. Its unique combination of functional groups may impart specific reactivity and solubility characteristics, making it suitable for various applications in research and industry. As with many complex organic compounds, its stability, reactivity, and potential toxicity would need to be evaluated in the context of its intended use.
Formula:C18H24BFN2O4
InChI:InChI=1S/C18H24BFN2O4/c1-16(2,3)24-15(23)22-14-9-11(20)8-13(12(14)10-21-22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChI key:InChIKey=WDZOMMFFIMMYEY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=C(C=C(F)C2)B3OC(C)(C)C(C)(C)O3)C=N1
Synonyms:
  • 1H-Indazole-1-carboxylic acid, 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
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