The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)
Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso
Beilstein J. Org. Chem. 2024, 20, 1839–1879.
https://doi.org/10.3762/bjoc.20.162
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C23H32O4 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.2301 Da |
| InChI |
InChI=1S/C23H32O4/c1-13-16-10-20(26-14(2)25)21-22(3,4)7-6-8-23(21,5)18(16)11-19-17(13)9-15(12-24)27-19/h9,12-13,16,18,20-21H,6-8,10-11H2,1-5H3/t13-,16?,18?,20-,21?,23-/m1/s1
|
| InChIKey |
CDSOMYTWSHAXND-WXDTVNSFSA-N
|
| SMILES |
C[C@@H]1C2C[C@H](C3[C@](C)(C)CCC[C@]3(C)C2CC4=C1C=C(C=O)O4)OC(=O)C
|
| Number of Atoms | 59 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 7 |
| XLogP | 5.5 |
