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CAS 957061-12-0

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

Description:
Methyl 3-nitro-5-(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 boron-containing moiety. The presence of the nitro group typically imparts electrophilic properties, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The boron-containing group, specifically the dioxaborolane, is known for its utility in organic synthesis, particularly in cross-coupling reactions and as a boron source in various transformations. This compound is likely to be a solid at room temperature, exhibiting moderate solubility in organic solvents due to its polar and non-polar functional groups. Its reactivity can be influenced by the electronic effects of the nitro group and the steric hindrance introduced by the bulky tetramethyl substituents. Overall, this compound may find applications in medicinal chemistry, materials science, and as an intermediate in the synthesis of more complex organic molecules.
Formula:C14H18BNO6
InChI:InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)10-6-9(12(17)20-5)7-11(8-10)16(18)19/h6-8H,1-5H3
InChI key:InChIKey=KSHZAKDFKZEZJQ-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=CC(N(=O)=O)=C2
Synonyms:
  • 3-Nitro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid methyl ester
  • Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • 3-Methoxycarbonyl-5-nitrophenylboronic acid, pinacol ester
  • 3-(Methoxycarbonyl)-5-nitrobenzeneboronicacid,pinacolester98%
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