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CAS 85107-55-7

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1-Methyl 4-borono-3-nitrobenzoate

Description:
1-Methyl 4-borono-3-nitrobenzoate, with the CAS number 85107-55-7, is an organic compound characterized by the presence of a boronic acid functional group, a nitro group, and an ester moiety. This compound typically appears as a solid and is soluble in polar organic solvents. The boron atom in the boronic acid group can form reversible covalent bonds with diols, making it useful in various applications, particularly in organic synthesis and medicinal chemistry. The nitro group contributes to the compound's electron-withdrawing properties, influencing its reactivity and stability. Additionally, the methyl group attached to the aromatic ring can affect the compound's steric and electronic properties, enhancing its utility in cross-coupling reactions, such as Suzuki-Miyaura coupling. Overall, 1-Methyl 4-borono-3-nitrobenzoate serves as a valuable intermediate in the synthesis of more complex organic molecules and has potential applications in drug development and materials science.
Formula:C8H8BNO6
InChI:InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3
InChI key:InChIKey=SFEJGHJCGQNFQC-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(B(O)O)C=CC(C(OC)=O)=C1
Synonyms:
  • 1-Methyl 4-borono-3-nitrobenzoate
  • 4-Methoxycarbonyl-2-Nitrophenylboronic Acid
  • 4-Methoxycarbonyl-2-nitrophenylboronicacid
  • Benzoic acid, 4-borono-3-nitro-, 1-methyl ester
  • Benzoic acid, 4-borono-3-nitro-, methyl ester
  • [4-(Methoxycarbonyl)-2-nitrophenyl]boronic acid
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