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CAS 947191-20-0

:

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

Description:
Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate is a chemical compound characterized by its unique structure, which includes an indazole core and a boron-containing moiety. The presence of the dioxaborolane group suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of boron-containing compounds for various reactions, such as Suzuki coupling. This compound is likely to exhibit moderate to high lipophilicity due to the presence of the ethyl ester and the bulky tetramethyl groups, which may influence its solubility and reactivity. Additionally, the indazole structure may impart biological activity, making it a candidate for further pharmacological studies. Its CAS number, 947191-20-0, allows for easy identification in chemical databases, facilitating research and development efforts. Overall, this compound represents a versatile building block in synthetic organic chemistry, with potential implications in drug discovery and material science.
Formula:C16H21BN2O4
InChI:InChI=1S/C16H21BN2O4/c1-6-21-14(20)13-11-8-7-10(9-12(11)18-19-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6H2,1-5H3,(H,18,19)
InChI key:InChIKey=MHQAUOWKFQERAD-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=2C(=CC(=CC2)B3OC(C)(C)C(C)(C)O3)NN1
Synonyms:
  • 1H-Indazole-3-carboxylic acid, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
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