CAS 317323-77-6

3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)-

Description:

3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)-, with CAS number 317323-77-6, is a chemical compound characterized by its piperidine ring structure, which is a six-membered nitrogen-containing heterocycle. This compound features a hydroxymethyl group and a sulfonate moiety, contributing to its solubility and reactivity. The presence of a fluorophenyl group indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as fluorinated compounds often exhibit enhanced biological activity. The specific stereochemistry denoted by (3S,4R) suggests that the compound has defined spatial arrangements of its atoms, which can significantly influence its biological interactions and properties. Additionally, the sulfonate group can enhance the compound's water solubility and may play a role in its pharmacokinetics. Overall, this compound's unique structural features make it a subject of interest in various chemical and pharmaceutical research applications.

Formula: C₂₀H₂₄FNO₃S

InChI: InChI=1S/C20H24FNO3S/c1-15-3-9-19(10-4-15)26(23,24)25-14-17-13-22(2)12-11-20(17)16-5-7-18(21)8-6-16/h3-10,17,20H,11-14H2,1-2H3/t17-,20-/m0/s1

InChI key: InChIKey=LYVSPZZHZZMALL-PXNSSMCTSA-N

SMILES: C(OS(=O)(=O)C1=CC=C(C)C=C1)[C@H]2[C@@H](CCN(C)C2)C3=CC=C(F)C=C3

Synonyms:

• 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)-
• 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, 4-methylbenzenesulfonate (ester), (3S,4R)-
• 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, 4-methylbenzenesulfonate (ester), (3R,4S)-
• [(3R,4S)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate

(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol 3-(4-Methylbenzenesulfonate)

Controlled Product

CAS: 317323-77-6

Color and Shape: Neat

Ref: 86-MM1032.22

Paroxetine Impurity 19

CAS: 317323-77-6

Formula: C₂₀H₂₄FNO₃S

Molecular weight: 377.47

Ref: 4Z-P-0251

Paroxol Tosylate

Controlled Product

CAS: 317323-77-6

Applications Piperidine derivative intermediate for paroxetin preparation.
References Murray, M., et al.: Curr. Drug Metab., 1, 67 (2000), Segura, M., et al.: Bioorg. Chem., 31, 248 (2003)

Formula: C₂₀H₂₄FNO₃S

Color and Shape: Neat

Molecular weight: 377.47

Ref: TR-P205850