CAS 1256345-53-5

B-[2-(Butylthio)-5-(trifluoromethyl)-3-pyridinyl]boronic acid

Description:

B-[2-(Butylthio)-5-(trifluoromethyl)-3-pyridinyl]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 and other nucleophiles. This compound features a pyridine ring substituted with a butylthio group and a trifluoromethyl group, which can influence its reactivity and solubility. The butylthio moiety enhances lipophilicity, potentially improving membrane permeability, while the trifluoromethyl group can impart unique electronic properties, making it useful in various chemical reactions, including cross-coupling reactions in organic synthesis. Boronic acids are also significant in medicinal chemistry, often serving as intermediates in drug development due to their ability to interact with biological targets. The compound's specific properties, such as melting point, solubility, and stability, would depend on its molecular structure and the conditions under which it is studied. Overall, this compound exemplifies the versatility of boronic acids in both synthetic and pharmaceutical chemistry.

Formula: C₁₀H₁₃BF₃NO₂S

InChI: InChI=1S/C10H13BF3NO2S/c1-2-3-4-18-9-8(11(16)17)5-7(6-15-9)10(12,13)14/h5-6,16-17H,2-4H2,1H3

InChI key: InChIKey=ROCAGVUKVGNBMZ-UHFFFAOYSA-N

SMILES: B(O)(O)C1=C(SCCCC)N=CC(C(F)(F)F)=C1

Synonyms:

• B-[2-(Butylthio)-5-(trifluoromethyl)-3-pyridinyl]boronic acid
• Boronic acid, B-[2-(butylthio)-5-(trifluoromethyl)-3-pyridinyl]-

2-Butylthio-5-trifluoromethylpyridine-3-boronic acid

CAS: 1256345-53-5

Formula: C₁₀H₁₃BF₃NO₂S

Molecular weight: 279.0869

Ref: IN-DA000O0C