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CAS 957034-47-8

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Boronic acid, B-(3-cyano-5-nitrophenyl)-, compd. with N,N-dimethylformamide (3:1)

Description:
Boronic acids are a class of organic compounds characterized by the presence of a boron atom bonded to a hydroxyl group and an organic substituent. The specific compound "Boronic acid, B-(3-cyano-5-nitrophenyl)-, compd. with N,N-dimethylformamide (3:1)" features a boronic acid moiety attached to a phenyl group that is further substituted with both cyano and nitro groups, which can influence its reactivity and solubility. The presence of the cyano group typically enhances the compound's electron-withdrawing properties, while the nitro group can increase its acidity and reactivity in various chemical reactions. The compound is associated with N,N-dimethylformamide (DMF), a polar aprotic solvent that can facilitate reactions involving boronic acids, such as Suzuki coupling reactions. This compound may be utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to form stable complexes with various substrates. Safety and handling precautions should be observed, as both boronic acids and DMF can pose health risks.
Formula:C7H5BN2O4C3H7NO
InChI:InChI=1S/C7H5BN2O4.C3H7NO/c9-4-5-1-6(8(11)12)3-7(2-5)10(13)14;1-4(2)3-5/h1-3,11-12H;3H,1-2H3
InChI key:InChIKey=YXTUQGNSISQEEF-UHFFFAOYSA-N
SMILES:B(O)(O)C1=CC(N(=O)=O)=CC(C#N)=C1.N(C=O)(C)C
Synonyms:
  • Boronic acid, B-(3-cyano-5-nitrophenyl)-, compd. with N,N-dimethylformamide (3:1)
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