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CAS 1072951-67-7

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

Description:
B-[4-[[4-(1,1-Dimethylethyl)-2-methylphenoxy]methyl]phenyl]boronic acid, identified by its CAS number 1072951-67-7, is a boronic acid derivative characterized by its boron atom bonded to a phenyl group and a phenoxy group. This compound features a bulky tert-butyl group and a methyl group on the aromatic ring, which contribute to its steric properties and solubility characteristics. Boronic acids are known for their ability to form reversible covalent bonds with diols, making them valuable in various applications, including organic synthesis, drug development, and as sensors for biomolecules. The presence of multiple aromatic rings in this compound suggests potential for π-π stacking interactions, which can influence its reactivity and stability. Additionally, the functional groups present may impart specific chemical reactivity, making it useful in cross-coupling reactions and other synthetic methodologies. Overall, this compound exemplifies the versatility of boronic acids in chemical research and applications.
Formula:C18H23BO3
InChI:InChI=1S/C18H23BO3/c1-13-11-15(18(2,3)4)7-10-17(13)22-12-14-5-8-16(9-6-14)19(20)21/h5-11,20-21H,12H2,1-4H3
InChI key:InChIKey=OPUGDQNAZFDADD-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC(C)=C(OCC2=CC=C(B(O)O)C=C2)C=C1
Synonyms:
  • (4-((4-(tert-Butyl)-2-methylphenoxy)methyl)phenyl)boronic acid
  • B-[4-[[4-(1,1-Dimethylethyl)-2-methylphenoxy]methyl]phenyl]boronic acid
  • Boronic acid, B-[4-[[4-(1,1-dimethylethyl)-2-methylphenoxy]methyl]phenyl]-
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