| SpectraBase Spectrum ID |
4otCJge54AT |
| Name |
(2R,4R)-2-(bromomethyl)-2-(4-methoxyphenyl)-4-methyl-4-phenylcyclopentan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrO2 |
| InChI |
InChI=1S/C20H21BrO2/c1-19(15-6-4-3-5-7-15)12-18(22)20(13-19,14-21)16-8-10-17(23-2)11-9-16/h3-11H,12-14H2,1-2H3/t19-,20+/m0/s1 |
| InChIKey |
QFKFAVZLOPRGCU-VQTJNVASSA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
373.290 g/mol |
| Optical Rotation |
[a]D25 = +13.2 (c = 0.7, CHCl3) |
| Reported Formula |
C20H21O2Br |
| SMILES |
C1[C@@](CC([C@]1(CBr)c1ccc(cc1)OC)=O)(C)c1ccccc1 |
| SPLASH |
splash10-007p-4900000000-92060b7077a8779078b4 |
| Sample Comments |
80% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM32-3i |
| Thin-Layer Chromatography |
Rf = 0.37 (PE/EtOAc, 95:5) |
| Wiley ID |
1884220 |
