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CAS 1221496-99-6

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

Description:
5-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one is a chemical compound characterized by its complex structure, which includes a benzoxazine ring and a boron-containing moiety. The presence of the chloro substituent indicates potential reactivity, while the dioxaborolane group suggests applications in organoboron chemistry, particularly in cross-coupling reactions. This compound may exhibit properties such as solubility in organic solvents and stability under certain conditions, making it useful in synthetic organic chemistry. Its unique structure may also impart specific biological activities, although detailed studies would be necessary to elucidate these properties. The compound's CAS number, 1221496-99-6, allows for precise identification in chemical databases, facilitating research and application in various fields, including pharmaceuticals and materials science. Overall, the characteristics of this compound make it a subject of interest for further exploration in both synthetic and applied chemistry contexts.
Formula:C14H17BClNO4
InChI:InChI=1S/C14H17BClNO4/c1-13(2)14(3,4)21-15(20-13)8-5-6-9-12(11(8)16)17-10(18)7-19-9/h5-6H,7H2,1-4H3,(H,17,18)
InChI key:InChIKey=CAGTXMXRVRASBA-UHFFFAOYSA-N
SMILES:ClC=1C(=CC=C2C1NC(=O)CO2)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • 2H-1,4-Benzoxazin-3(4H)-one, 5-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 5-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one
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