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 | C17H18N4O2 |
| Molecular Weight | 310.35 g/mol |
| Exact Mass | 310.1430 Da |
| InChI |
InChI=1S/C17H18N4O2/c1-2-5-14-16(21-11-4-3-6-15(21)19-14)18-13-9-7-12(8-10-13)17(22)20-23/h3-4,6-11,18,23H,2,5H2,1H3,(H,20,22)
|
| InChIKey |
RDGVRQVQYOOAEK-UHFFFAOYSA-N
|
| SMILES |
CCCC1=C(NC2=CC=C(C=C2)C(=O)NO)N3C=CC=CC3=N1
|
| Number of Atoms | 41 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 20 |
| XLogP | 1.8 |
