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CAS 1150114-49-0

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B-[2-Methyl-5-[(trifluoromethyl)sulfonyl]phenyl]boronic acid

Description:
B-[2-Methyl-5-[(trifluoromethyl)sulfonyl]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 methyl group and a trifluoromethylsulfonyl group, contributing to its unique chemical properties. The trifluoromethylsulfonyl moiety enhances the compound's reactivity and solubility in various solvents, making it useful in organic synthesis and medicinal chemistry. Boronic acids are often utilized in cross-coupling reactions, such as Suzuki-Miyaura coupling, which is pivotal in the formation of carbon-carbon bonds. Additionally, the presence of the sulfonyl group can influence the electronic properties of the molecule, potentially affecting its reactivity and interactions with biological targets. Overall, this compound is significant in the development of pharmaceuticals and agrochemicals, owing to its versatile reactivity and functionalization potential.
Formula:C8H8BF3O4S
InChI:InChI=1S/C8H8BF3O4S/c1-5-2-3-6(4-7(5)9(13)14)17(15,16)8(10,11)12/h2-4,13-14H,1H3
InChI key:InChIKey=ZYVAJJOEQOUMOF-UHFFFAOYSA-N
SMILES:S(C(F)(F)F)(=O)(=O)C1=CC(B(O)O)=C(C)C=C1
Synonyms:
  • B-[2-Methyl-5-[(trifluoromethyl)sulfonyl]phenyl]boronic acid
  • [2-Methyl-5-(trifluoromethylsulfonyl)phenyl]boronic acid
  • Boronic acid, B-[2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl]-
  • (2-Methyl-5-trifluoromethanesulfonylphenyl)boronic acid
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