| SpectraBase Spectrum ID |
Foa9XArimjY |
| Name |
(1S,2S,5R)-5-(4-Chlorophenyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22ClNO3S |
| InChI |
InChI=1S/C20H22ClNO3S/c1-14-2-8-17(9-3-14)26(24,25)22-18-10-12-20(22,13-11-19(18)23)15-4-6-16(21)7-5-15/h2-9,18-19,23H,10-13H2,1H3 |
| InChIKey |
RUXJKQQKCPSFOS-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
391.913 g/mol |
| Optical Rotation |
[a]D20 = +43.3 (c = 0.5, CH2Cl2) |
| Reported Formula |
C20H22ClNO3S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)Cl |
| SPLASH |
splash10-000l-2491000000-330142ed7663a2728fa0 |
| Sample Comments |
72% ee |
| Source of Spectrum |
ACI-59-SM43-2m |
| Thin-Layer Chromatography |
Rf = 0.25 (petroleum ether/CH2Cl2, 1:2, 20% EtOAc) |
| Wiley ID |
1857756 |
![(1S,2S,5R)-5-(4-Chlorophenyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/Foa9XArimjY/structure.png?h=300&w=458 "(1S,2S,5R)-5-(4-Chlorophenyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
