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 | C21H29FO5 |
| Molecular Weight | 380.45 g/mol |
| Exact Mass | 380.1999 Da |
| InChI |
InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14?,15-,16-,18-,19-,20-,21-/m0/s1
|
| InChIKey |
AAXVEMMRQDVLJB-YWERIZGASA-N
|
| SMILES |
C[C@@]12CCC(=O)C=C2CC[C@@]3([H])C4CC[C@](C(=O)CO)([C@@]4(C)C[C@@H]([C@@]31F)O)O
|
| Number of Atoms | 56 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 4 |
| XLogP | 0.4 |
