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CAS 1217500-91-8

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B-[4-[(3-Methylbutyl)thio]phenyl]boronic acid

Description:
B-[4-[(3-Methylbutyl)thio]phenyl]boronic acid is an organoboron compound characterized by the presence of a boronic acid functional group, which is known for its ability to form reversible covalent bonds with diols. This compound features a phenyl ring substituted with a thioether group, specifically a 3-methylbutyl thio group, enhancing its solubility and reactivity. The boronic acid moiety allows for participation in various chemical reactions, including Suzuki coupling, making it valuable in organic synthesis and materials science. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the ability of boronic acids to interact with biological targets. Additionally, the presence of the thioether group may influence its electronic properties and steric hindrance, affecting its reactivity and interaction with other molecules. Overall, B-[4-[(3-Methylbutyl)thio]phenyl]boronic acid is a versatile compound with significant implications in both synthetic and applied chemistry.
Formula:C11H17BO2S
InChI:InChI=1S/C11H17BO2S/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChI key:InChIKey=YGCYBBGQZWWUBS-UHFFFAOYSA-N
SMILES:S(CCC(C)C)C1=CC=C(B(O)O)C=C1
Synonyms:
  • (4-(Isopentylthio)phenyl)boronic acid
  • Boronic acid, B-[4-[(3-methylbutyl)thio]phenyl]-
  • B-[4-[(3-Methylbutyl)thio]phenyl]boronic acid
  • [4-[(3-Methylbutyl)sulfanyl]phenyl]boronic acid
  • (4-(Isopentylthio)phenyl)boronicacid
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