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 | C17H19N5 |
| Molecular Weight | 293.37 g/mol |
| Exact Mass | 293.1640 Da |
| InChI |
InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-17-16(13-6-8-18-9-7-13)21-15-12-19-10-11-22(15)17/h6-12,14,20H,1-5H2
|
| InChIKey |
KGLOIHXSCBGISH-UHFFFAOYSA-N
|
| SMILES |
C1CCC(CC1)NC2=C(C3=CC=NC=C3)N=C4C=NC=CN42
|
| Number of Atoms | 41 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 16 |
| XLogP | 1.9 |