| SpectraBase Spectrum ID |
EkmR8210FmF |
| Name |
(1S,2S,5R)-5-(p-Tolyl)-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 |
C21H25NO3S |
| InChI |
InChI=1S/C21H25NO3S/c1-15-3-7-17(8-4-15)21-13-11-19(20(23)12-14-21)22(21)26(24,25)18-9-5-16(2)6-10-18/h3-10,19-20,23H,11-14H2,1-2H3 |
| InChIKey |
DGDOKJGHVVAARE-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
371.495 g/mol |
| Optical Rotation |
[a]D20 = +38.8 (c = 1.0, CH2Cl2) |
| Reported Formula |
C21H25NO3S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C |
| SPLASH |
splash10-06di-3983000000-7f33e31a51b822cf03ac |
| Sample Comments |
87% ee |
| Source of Spectrum |
ACI-59-SM40-2h |
| Thin-Layer Chromatography |
Rf = 0.29 (petroleum ether/CH2Cl2, 1:2, 20% EtOAc) |
| Wiley ID |
1857751 |
![(1S,2S,5R)-5-(p-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/EkmR8210FmF/structure.png?h=300&w=458 "(1S,2S,5R)-5-(p-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
