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 | C27H15F3O3 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.0973 Da |
| InChI |
InChI=1S/C27H15F3O3/c28-25-10-16(1-4-19(25)13-31)22-7-23(17-2-5-20(14-32)26(29)11-17)9-24(8-22)18-3-6-21(15-33)27(30)12-18/h1-15H
|
| InChIKey |
KGACDTNXWOXMRP-UHFFFAOYSA-N
|
| SMILES |
C1=C(C=C(C(=C1)C=O)F)C2=CC(=CC(=C2)C3=CC(=C(C=C3)C=O)F)C4=CC=C(C=O)C(=C4)F
|
| Number of Atoms | 48 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 30 |
| XLogP | 3.6 |
