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CAS 957065-97-3

:

Methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound characterized by its complex structure, which includes a nitro group and a boronate ester moiety. The presence of the nitro group typically imparts electrophilic properties, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The boronate group, derived from boron, is known for its ability to participate in cross-coupling reactions, such as Suzuki coupling, which is valuable in organic synthesis for forming carbon-carbon bonds. This compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its polar and non-polar functional groups. Its applications may extend to pharmaceuticals, agrochemicals, or materials science, particularly in the development of new synthetic methodologies. Safety and handling precautions should be observed, as compounds containing nitro groups can be sensitive and potentially hazardous. Overall, this compound exemplifies the intersection of functional group chemistry and synthetic utility in organic chemistry.
Formula:C14H18BNO6
InChI:InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)10-7-6-9(12(17)20-5)8-11(10)16(18)19/h6-8H,1-5H3
InChI key:InChIKey=WRGJIRHQRSVMFP-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C=CC(C(OC)=O)=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester
  • Methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
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