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CAS 1072951-87-1

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B-[2-[[5-Methyl-2-(1-methylethyl)phenoxy]methyl]phenyl]boronic acid

Description:
B-[2-[[5-Methyl-2-(1-methylethyl)phenoxy]methyl]phenyl]boronic acid, identified by its CAS number 1072951-87-1, is a boronic acid derivative characterized by its boron atom bonded to a phenyl group and a phenoxy group. This compound typically exhibits properties associated with boronic acids, such as the ability to form reversible covalent bonds with diols, making it useful in various applications, including organic synthesis and medicinal chemistry. The presence of the bulky isopropyl group and the methyl substituent on the aromatic rings can influence its solubility and reactivity, potentially enhancing its selectivity in chemical reactions. Additionally, boronic acids are known for their role in Suzuki-Miyaura cross-coupling reactions, which are pivotal in the formation of carbon-carbon bonds. The compound's structure suggests it may also have potential applications in drug development or as a molecular probe due to its ability to interact with biological molecules. Overall, its unique structural features contribute to its functional versatility in chemical research and applications.
Formula:C17H21BO3
InChI:InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI key:InChIKey=JDYAGWNUTBEZCI-UHFFFAOYSA-N
SMILES:O(CC1=C(B(O)O)C=CC=C1)C2=C(C(C)C)C=CC(C)=C2
Synonyms:
  • Boronic acid, B-[2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]phenyl]-
  • B-[2-[[5-Methyl-2-(1-methylethyl)phenoxy]methyl]phenyl]boronic acid
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