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 | C19H14N4O3 |
| Molecular Weight | 346.34 g/mol |
| Exact Mass | 346.1066 Da |
| InChI |
InChI=1S/C19H14N4O3/c24-15-4-2-1-3-14(15)17-18(23-10-9-20-11-16(23)22-17)21-13-7-5-12(6-8-13)19(25)26/h1-11,21,24H,(H,25,26)
|
| InChIKey |
WPLKMXMGKMECNZ-UHFFFAOYSA-N
|
| SMILES |
C1=CC(=C(C=C1)O)C2=C(NC3=CC=C(C=C3)C(=O)O)N4C=CN=CC4=N2
|
| Number of Atoms | 40 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 26 |
| XLogP | 1.3 |
