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CAS 1186334-62-2

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7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

Description:
7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is a chemical compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a chlorine atom at the 7-position contributes to its reactivity and potential applications in medicinal chemistry. The compound also features a boron-containing moiety, specifically a tetramethyl-1,3,2-dioxaborolane, which is known for its utility in organic synthesis, particularly in cross-coupling reactions. This dioxaborolane group enhances the compound's ability to participate in various chemical transformations, making it valuable in the development of pharmaceuticals and agrochemicals. The overall structure suggests potential for biological activity, although specific biological properties would require empirical investigation. The compound's unique combination of functional groups and structural features positions it as a candidate for further research in synthetic and medicinal chemistry.
Formula:C13H16BClN2O2
InChI:InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(15)11-8(9)7-16-17-11/h5-7H,1-4H3,(H,16,17)
InChI key:InChIKey=NUTJVPSEKQOSEQ-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=C3C(=C(Cl)C=C2)NN=C3
Synonyms:
  • 7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
  • 1H-Indazole, 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 7-Chloro-1H-indazole-4-boronic acid pinacol ester
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