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 | C5H6N2 |
| Molecular Weight | 94.11 g/mol |
| Exact Mass | 94.0531 Da |
| InChI |
InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
|
| InChIKey |
ICSNLGPSRYBMBD-UHFFFAOYSA-N
|
| SMILES |
C1=CC(=NC=C1)N
|
| Number of Atoms | 13 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 7 |
| XLogP | -0.4 |