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CAS 865245-33-6

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1,4,5,6-Tetrahydro-1-[(4-methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Description:
1,4,5,6-Tetrahydro-1-[(4-methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, identified by CAS number 865245-33-6, is a complex organic compound featuring a pyridine ring that is partially saturated, indicating the presence of a tetrahydro structure. This compound contains a sulfonyl group attached to a 4-methylphenyl moiety, which contributes to its potential as a pharmacophore in medicinal chemistry. Additionally, the presence of a boron-containing dioxaborolane group suggests applications in organoboron chemistry, particularly in cross-coupling reactions or as a reagent in organic synthesis. The steric bulk provided by the tetramethyl groups enhances its stability and may influence its reactivity and solubility. Overall, this compound's unique structural features make it a candidate for further investigation in drug development and synthetic applications, although specific properties such as solubility, melting point, and reactivity would require empirical determination.
Formula:C18H26BNO4S
InChI:InChI=1S/C18H26BNO4S/c1-14-9-11-15(12-10-14)25(21,22)20-13-7-6-8-16(20)19-23-17(2,3)18(4,5)24-19/h8-12H,6-7,13H2,1-5H3
InChI key:InChIKey=KTGNGFLJHBKPAK-UHFFFAOYSA-N
SMILES:S(=O)(=O)(N1C(=CCCC1)B2OC(C)(C)C(C)(C)O2)C3=CC=C(C)C=C3
Synonyms:
  • Pyridine, 1,4,5,6-tetrahydro-1-[(4-methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 1,4,5,6-Tetrahydro-1-[(4-methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
  • Pyridine, 1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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