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 | C4H5N3 |
| Molecular Weight | 95.10 g/mol |
| Exact Mass | 95.0483 Da |
| InChI |
InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
|
| InChIKey |
LJXQPZWIHJMPQQ-UHFFFAOYSA-N
|
| SMILES |
C1=CN=C(N)N=C1
|
| Number of Atoms | 12 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 7 |
| XLogP | -1.2 |