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CAS 1361110-64-6

:

3,4-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazine

Description:
3,4-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazine is a chemical compound characterized by its unique structural features, which include a benzoxazine ring 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 benzoxazine structure contributes to its stability and may impart specific electronic properties, making it of interest in materials science and medicinal chemistry. Additionally, the tetramethyl substituents enhance its steric bulk, which can influence reactivity and solubility. The compound is likely to exhibit moderate to low solubility in polar solvents due to its hydrophobic characteristics, while its boron content may allow for coordination with various ligands. Overall, this compound's unique combination of functional groups positions it as a versatile intermediate in synthetic organic chemistry and potential applications in drug development or polymer science.
Formula:C14H20BNO3
InChI:InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9,16H,7-8H2,1-4H3
InChI key:InChIKey=AUGHRUKXHXNOCW-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C=2C=C3C(=CC2)NCCO3
Synonyms:
  • 2H-1,4-Benzoxazine, 3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3,4-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazine
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