CAS 1613450-45-5: B-(3,4-Dihydro-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-6-yl)boronic acid

Description: B-(3,4-Dihydro-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-6-yl)boronic acid, identified by its CAS number 1613450-45-5, is a boronic acid derivative characterized by the presence of a boron atom bonded to a phenolic structure. This compound features a benzoxazine ring, which contributes to its unique chemical properties, including potential reactivity with diols and other nucleophiles due to the boronic acid functionality. The presence of the 3,4-dihydro-2,2-dimethyl-3-oxo moiety suggests that it may exhibit interesting biological or pharmacological activities, making it a candidate for research in medicinal chemistry. Additionally, boronic acids are known for their role in Suzuki coupling reactions, which are essential in organic synthesis for forming carbon-carbon bonds. The compound's solubility, stability, and reactivity can be influenced by its structural features, making it a subject of interest in both synthetic and applied chemistry contexts. Further studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₀H₁₂BNO₄

InChI: InChI=1S/C10H12BNO4/c1-10(2)9(13)12-7-5-6(11(14)15)3-4-8(7)16-10/h3-5,14-15H,1-2H3,(H,12,13)

InChI key: InChIKey=YXCLOMVQWARTIR-UHFFFAOYSA-N

SMILES: O=C1NC2=CC(=CC=C2OC1(C)C)B(O)O

Synonyms:

• Boronic acid, B-(3,4-dihydro-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-6-yl)-
• B-(3,4-Dihydro-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-6-yl)boronic acid

2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronicAcid

CAS: 1613450-45-5

• Formula: C₁₀H₁₂BNO₄
• Purity: ≥95%
• Molecular weight: 221.0176

(2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid

CAS: 1613450-45-5

• Purity: 97%
• Molecular weight: 221.02000427246094

2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid

CAS: 1613450-45-5

Versatile small molecule scaffold

• Formula: C₁₀H₁₂BNO₄
• Purity: Min. 95%
• Molecular weight: 221.02 g/mol