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CAS 1150114-61-6

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1-(1-Methylethyl) 4-borono-3-nitrobenzoate

Description:
1-(1-Methylethyl) 4-borono-3-nitrobenzoate, with the CAS number 1150114-61-6, is a chemical compound that features a boronic acid derivative. This substance typically exhibits characteristics associated with both the boronic acid functional group and the nitro group, which can influence its reactivity and solubility. The presence of the isopropyl group (1-methylethyl) contributes to its hydrophobic nature, while the nitro group introduces polarity, potentially affecting its interactions in various chemical environments. This compound is likely to participate in Suzuki coupling reactions, a common application of boronic acids in organic synthesis, allowing for the formation of carbon-carbon bonds. Additionally, the nitro group may serve as a site for further functionalization or reduction reactions. Overall, the unique combination of functional groups in 1-(1-Methylethyl) 4-borono-3-nitrobenzoate makes it a valuable intermediate in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C10H12BNO6
InChI:InChI=1S/C10H12BNO6/c1-6(2)18-10(13)7-3-4-8(11(14)15)9(5-7)12(16)17/h3-6,14-15H,1-2H3
InChI key:InChIKey=FKPAMQONBPBHMF-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(B(O)O)C=CC(C(OC(C)C)=O)=C1
Synonyms:
  • 1-(1-Methylethyl) 4-borono-3-nitrobenzoate
  • Benzoic acid, 4-borono-3-nitro-, 1-(1-methylethyl) ester
  • Isopropyl 4-borono-3-nitrobenzoate
  • 4-(Isopropoxycarbonyl)-2-nitrophenylboronic acid
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