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CAS 1346808-87-4

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

Description:
1,1-Dimethylethyl 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate, with CAS number 1346808-87-4, is a complex organic compound characterized by its unique structural features, including an indazole core and a boron-containing moiety. The presence of the 1,3,2-dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions and as a reagent in synthetic organic chemistry. The compound's substituents, such as the tert-butyl and ethyl groups, contribute to its lipophilicity, which may influence its solubility and reactivity in various solvents. Additionally, the indazole structure is known for its biological activity, making this compound of interest in medicinal chemistry. Its synthesis likely involves multi-step reactions, highlighting the importance of careful handling and characterization techniques, such as NMR and mass spectrometry, to confirm its identity and purity. Overall, this compound exemplifies the intricate design often found in modern organic synthesis, with potential implications in pharmaceuticals and materials science.
Formula:C20H29BN2O4
InChI:InChI=1S/C20H29BN2O4/c1-9-15-14-12-13(21-26-19(5,6)20(7,8)27-21)10-11-16(14)23(22-15)17(24)25-18(2,3)4/h10-12H,9H2,1-8H3
InChI key:InChIKey=MRRVZVMFWXCFIQ-UHFFFAOYSA-N
SMILES:C(C)C=1C=2C(N(C(OC(C)(C)C)=O)N1)=CC=C(C2)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • 1,1-Dimethylethyl 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
  • 1H-Indazole-1-carboxylic acid, 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • tert-Butyl 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
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