CAS 1246765-40-1

1,4-Dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-3,1-benzoxazin-2-one

Description:

1,4-Dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-3,1-benzoxazin-2-one is a complex organic compound characterized by its unique structural features, including a benzoxazine ring and a dioxaborolane moiety. This compound typically exhibits properties such as moderate solubility in organic solvents, which can be attributed to its hydrophobic components. The presence of the dioxaborolane group suggests potential applications in boron chemistry, particularly in the context of drug delivery or as a building block in organic synthesis. Additionally, the compound may display interesting reactivity due to the presence of the benzoxazine structure, which is known for its ability to undergo polymerization and other chemical transformations. Its molecular structure may also confer specific biological activities, making it a candidate for further investigation in medicinal chemistry. Overall, this compound represents a fascinating intersection of organic synthesis and potential functional applications in various fields, including materials science and pharmaceuticals.

Formula: C₁₆H₂₂BNO₄

InChI: InChI=1S/C16H22BNO4/c1-14(2)11-9-10(7-8-12(11)18-13(19)20-14)17-21-15(3,4)16(5,6)22-17/h7-9H,1-6H3,(H,18,19)

InChI key: InChIKey=NNSVFRNIASWGFH-UHFFFAOYSA-N

SMILES: CC1(C)C=2C(=CC=C(C2)B3OC(C)(C)C(C)(C)O3)NC(=O)O1

Synonyms:

• 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 4,4-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one
• 1,4-Dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-3,1-benzoxazin-2-one