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 | C26H19N3O2 |
| Molecular Weight | 405.45 g/mol |
| Exact Mass | 405.1477 Da |
| InChI |
InChI=1S/C26H19N3O2/c30-26(31)20-11-13-22(14-12-20)27-25-24(19-9-5-2-6-10-19)28-23-17-21(15-16-29(23)25)18-7-3-1-4-8-18/h1-17,27H,(H,30,31)
|
| InChIKey |
NBOGDBQDWGGMBX-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CC3=NC(=C(NC4=CC=C(C=C4)C(=O)O)N3C=C2)C5=CC=CC=C5
|
| Number of Atoms | 50 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 31 |
| XLogP | 4.5 |
