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CAS 1072951-91-7

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B-[3-[(4-Chloro-3-methylphenoxy)methyl]phenyl]boronic acid

Description:
B-[3-[(4-Chloro-3-methylphenoxy)methyl]phenyl]boronic acid, identified by its CAS number 1072951-91-7, is a boronic acid derivative characterized by the presence of a boron atom bonded to a phenyl group and a phenoxy moiety. 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 medicinal chemistry. The presence of the chloro and methyl substituents on the aromatic rings can influence its reactivity and solubility, potentially enhancing its biological activity or selectivity in chemical reactions. Additionally, boronic acids are known for their role in Suzuki coupling reactions, which are pivotal in the formation of carbon-carbon bonds in organic synthesis. The compound's structural features suggest potential applications in drug development, particularly in targeting specific biological pathways or in the design of molecular probes. Overall, B-[3-[(4-Chloro-3-methylphenoxy)methyl]phenyl]boronic acid represents a versatile building block in synthetic chemistry.
Formula:C14H14BClO3
InChI:InChI=1S/C14H14BClO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,17-18H,9H2,1H3
InChI key:InChIKey=MLTCJWUQGYLPLF-UHFFFAOYSA-N
SMILES:C(OC1=CC(C)=C(Cl)C=C1)C2=CC(B(O)O)=CC=C2
Synonyms:
  • Boronic acid, B-[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]-
  • B-[3-[(4-Chloro-3-methylphenoxy)methyl]phenyl]boronic acid
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