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 | C5H5ClN2 |
| Molecular Weight | 128.56 g/mol |
| Exact Mass | 128.0141 Da |
| InChI |
InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
|
| InChIKey |
MAXBVGJEFDMHNV-UHFFFAOYSA-N
|
| SMILES |
C1=C(C=NC(=C1)N)Cl
|
| Number of Atoms | 13 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 7 |
| XLogP | 0.0 |