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 | C22H29FO5 |
| Molecular Weight | 392.46 g/mol |
| Exact Mass | 392.1999 Da |
| InChI |
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
|
| InChIKey |
UREBDLICKHMUKA-CXSFZGCWSA-N
|
| SMILES |
C[C@@H]1C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@]3([C@H](C[C@]2(C)[C@]1(C(=O)CO)O)O)F
|
| Number of Atoms | 57 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 6 |
| XLogP | 1.1 |
