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 | C22H29FN3O9P |
| Molecular Weight | 529.45 g/mol |
| Exact Mass | 529.1625 Da |
| InChI |
InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36?/m0/s1
|
| InChIKey |
TTZHDVOVKQGIBA-IAAJYNJHSA-N
|
| SMILES |
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@@H]1[C@H]([C@](C)([C@H](N2C=CC(=O)NC2=O)O1)F)O)OC3=CC=CC=C3
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 12 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 11 |
| XLogP | 0.6 |
