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 | C4H4N4 |
| Molecular Weight | 108.10 g/mol |
| Exact Mass | 108.0436 Da |
| InChI |
InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
|
| InChIKey |
XEPBRDBFOSKYCF-UHFFFAOYSA-N
|
| SMILES |
C(#N)C1=C(N)N=CN1
|
| Number of Atoms | 12 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 8 |
| XLogP | -0.6 |