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CAS 957120-83-1

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B-[3-(Methylthio)-5-(trifluoromethyl)phenyl]boronic acid

Description:
B-[3-(Methylthio)-5-(trifluoromethyl)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, making it useful in various applications, including organic synthesis and medicinal chemistry. The compound features a phenyl ring substituted with a methylthio group and a trifluoromethyl group, which can influence its electronic properties and reactivity. The methylthio group may enhance the compound's lipophilicity, while the trifluoromethyl group can impart unique electronic characteristics, potentially affecting its biological activity. This compound is typically used in cross-coupling reactions, such as Suzuki-Miyaura coupling, to form carbon-carbon bonds. Additionally, its boronic acid moiety can serve as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Overall, B-[3-(Methylthio)-5-(trifluoromethyl)phenyl]boronic acid is a versatile building block in organic chemistry, with applications in both research and industry.
Formula:C8H8BF3O2S
InChI:InChI=1S/C8H8BF3O2S/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
InChI key:InChIKey=XIGZIOYWOLFBMQ-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(B(O)O)=CC(SC)=C1
Synonyms:
  • B-[3-(Methylthio)-5-(trifluoromethyl)phenyl]boronic acid
  • [3-(Methylsulfanyl)-5-(trifluoromethyl)phenyl]boronic acid
  • (3-(Methylthio)-5-(trifluoromethyl)phenyl)boronic acid
  • Boronic acid, B-[3-(methylthio)-5-(trifluoromethyl)phenyl]-
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