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CAS 377780-80-8

:

3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Description:
3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is an organic compound characterized by its complex structure, which includes a nitro group and a boron-containing moiety. The presence of the nitro group typically imparts acidic properties, while the dioxaborolane ring contributes to its reactivity and potential applications in organic synthesis, particularly in cross-coupling reactions. This compound is likely to exhibit moderate solubility in polar solvents due to the carboxylic acid functional group, while the bulky tetramethyl dioxaborolane moiety may influence its steric properties and reactivity. Additionally, the compound may be used in various applications, including as a building block in pharmaceuticals or agrochemicals, owing to its unique functional groups. Safety data should be consulted for handling, as nitro compounds can be sensitive and potentially hazardous. Overall, this compound exemplifies the intersection of organic chemistry and materials science, showcasing the utility of boron-containing compounds in modern synthetic methodologies.
Formula:C13H16BNO6
InChI:InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)
InChI key:InChIKey=OYMDMSRXMZRHPB-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(O)=O)=CC(N(=O)=O)=C2
Synonyms:
  • 3-Nitro-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoic Acid
  • Benzoic acid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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