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CAS 1072951-76-8

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B-[2-[[4-(1,1-Dimethylethyl)-2-methylphenoxy]methyl]phenyl]boronic acid

Description:
B-[2-[[4-(1,1-Dimethylethyl)-2-methylphenoxy]methyl]phenyl]boronic acid, identified by its CAS number 1072951-76-8, is a boronic acid derivative characterized by its boron atom bonded to a phenyl group and a phenoxy moiety. This compound features a complex structure that includes a tert-butyl group and a methyl group on the aromatic rings, contributing to its hydrophobic properties. Boronic acids are known for their ability to form reversible covalent bonds with diols, making them useful in various applications, including organic synthesis, medicinal chemistry, and as sensors for biomolecules. The presence of the boronic acid functional group allows for potential applications in drug development, particularly in targeting specific biological pathways. Additionally, the steric hindrance provided by the tert-butyl group may influence the compound's reactivity and selectivity in chemical reactions. Overall, this compound exemplifies the versatility of boronic acids in both synthetic and biological contexts.
Formula:C18H23BO3
InChI:InChI=1S/C18H23BO3/c1-13-11-15(18(2,3)4)9-10-17(13)22-12-14-7-5-6-8-16(14)19(20)21/h5-11,20-21H,12H2,1-4H3
InChI key:InChIKey=DUXBNUDEXAKRNL-UHFFFAOYSA-N
SMILES:C(OC1=C(C)C=C(C(C)(C)C)C=C1)C2=C(B(O)O)C=CC=C2
Synonyms:
  • Boronic acid, B-[2-[[4-(1,1-dimethylethyl)-2-methylphenoxy]methyl]phenyl]-
  • B-[2-[[4-(1,1-Dimethylethyl)-2-methylphenoxy]methyl]phenyl]boronic acid
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