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Cas Database |
| Name |
trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-[(4-toluenesulfonyloxy)methyl]piperidine |
EINECS | N/A |
| CAS No. | 317323-77-6 | Density | 1.195 g/cm3 |
| PSA | 54.99000 | LogP | 4.59360 |
| Solubility | N/A | Melting Point |
117-118°C |
| Formula | C20H24FNO3S | Boiling Point | 496.23 °C at 760 mmHg |
| Molecular Weight | 377.48 | Flash Point | 253.911 °C |
| Transport Information | N/A | Appearance | Brown Solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 4-methylbenzenesulfonate (ester), (3S,4R)- (9CI); |
Article Data | 4 |
trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-[(4-toluenesulfonyloxy)methyl]piperidine Chemical Properties
Following is the structure of 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)- (CAS NO.317323-77-6):
Empirical Formula: C20H24FNO3S
Molecular Weight: 377.4729
Molar Volume: 315.773 cm3
Molar Refractivity: 100.968 cm3
Polarizability: 40.027 10-24cm3
Density: 1.195 g/cm3
Flash Point: 253.911 °C
Index of Refraction: 1.552
Surface Tension: 40.449 dyne/cm
Enthalpy of Vaporization: 76.395 kJ/mol
Boiling Point: 496.23 °C at 760 mmHg
Appearance of 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)- (CAS NO.317323-77-6): Brown Solid
Product Categories: API intermediates; Aromatics; Chiral Reagents; Heterocycles; Sulfur & Selenium Compounds
SMILES: CN2CC[C@@H]([C@@H](COS(=O)(=O)c1ccc(C)cc1)C2)c3ccc(F)cc3
InChI: InChI=1/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-/m1/s1
InChIKey: LYVSPZZHZZMALL-YLJYHZDGBH
trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-[(4-toluenesulfonyloxy)methyl]piperidine Specification
3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)- , its cas register number 317323-77-6. It also can be called [(3R,4S)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate .
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