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CAS 1072946-14-5

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B-[4-[(1E)-2-Cyanoethenyl]phenyl]boronic acid

Description:
B-[4-[(1E)-2-Cyanoethenyl]phenyl]boronic acid, identified by its CAS number 1072946-14-5, is an organoboron compound characterized by the presence of a boronic acid functional group attached to a phenyl ring that is further substituted with a cyanoethenyl group. This compound typically exhibits properties associated with boronic acids, such as the ability to form reversible complexes with diols, making it useful in various applications including organic synthesis and materials science. The cyanoethenyl substituent introduces additional reactivity and polarity, which can enhance its utility in coupling reactions, particularly in the synthesis of complex organic molecules. The compound is likely to be a solid at room temperature, with solubility in polar organic solvents. Its reactivity and functional groups make it a candidate for applications in medicinal chemistry, particularly in the development of pharmaceuticals and agrochemicals. Safety data should be consulted for handling, as boronic acids can have specific hazards associated with their use.
Formula:C9H8BNO2
InChI:InChI=1S/C9H8BNO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,12-13H/b2-1+
InChI key:InChIKey=UDHXSADADVYMLO-OWOJBTEDSA-N
SMILES:B(O)(O)C1=CC=C(/C=C/C#N)C=C1
Synonyms:
  • Boronic acid, B-[4-[(1E)-2-cyanoethenyl]phenyl]-
  • B-[4-[(1E)-2-Cyanoethenyl]phenyl]boronic acid
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