Selectfluor and alcohol-mediated synthesis of bicyclic oxyfluorination compounds by Wagner–Meerwein rearrangement
Ziya Dağalan, Muhammed Hanifi Çelikoğlu, Saffet Çelik, Ramazan Koçak and Bilal Nişancı
Beilstein J. Org. Chem. 2024, 20, 1462–1467.
https://doi.org/10.3762/bjoc.20.129
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C27H34F2O7 |
| Molecular Weight | 508.55 g/mol |
| Exact Mass | 508.2273 Da |
| InChI |
InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17?,18-,20-,21-,24-,25-,26-,27-/m0/s1
|
| InChIKey |
WYQPLTPSGFELIB-XFPPWHGESA-N
|
| SMILES |
CCCC(=O)O[C@@]1(CCC2[C@]3([H])C[C@@H](C4=CC(=O)C=C[C@]4(C)[C@]3([C@H](C[C@@]21C)O)F)F)C(=O)COC(=O)C
|
| Number of Atoms | 70 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 6 |
| XLogP | 2.6 |
