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CAS 2304634-93-1

:

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzothiazin-3(4H)-one

Description:
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzothiazin-3(4H)-one is a chemical compound characterized by its unique structural features, which include a benzothiazine core and a dioxaborolane moiety. The presence of the dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions and as a building block for various organic syntheses. The compound's benzothiazine structure may impart biological activity, making it of interest in medicinal chemistry for potential therapeutic applications. Its molecular structure likely contributes to specific solubility and reactivity profiles, which can be influenced by the bulky tetramethyl groups that enhance steric hindrance. Additionally, the compound may exhibit interesting electronic properties due to the conjugation between the benzothiazine and the dioxaborolane, potentially affecting its reactivity and interaction with biological targets. Overall, this compound represents a fusion of boron chemistry and heterocyclic compounds, opening avenues for research in both synthetic and medicinal chemistry.
Formula:C14H18BNO3S
InChI:InChI=1S/C14H18BNO3S/c1-13(2)14(3,4)19-15(18-13)9-5-6-10-11(7-9)20-8-12(17)16-10/h5-7H,8H2,1-4H3,(H,16,17)
InChI key:InChIKey=HCLHYFLVWZEPJV-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C=2C=C3C(=CC2)NC(=O)CS3
Synonyms:
  • 2H-1,4-Benzothiazin-3(4H)-one, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzothiazin-3(4H)-one
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