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 | C21H19FN4 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.1594 Da |
| InChI |
InChI=1S/C21H19FN4/c1-2-14-25(17-11-9-16(22)10-12-17)21-20(18-7-3-5-13-23-18)24-19-8-4-6-15-26(19)21/h3-13,15H,2,14H2,1H3
|
| InChIKey |
KOHFUKYQDJSMIP-UHFFFAOYSA-N
|
| SMILES |
CCCN(C1=CC=C(C=C1)F)C2=C(C3=NC=CC=C3)N=C4C=CC=CN42
|
| Number of Atoms | 45 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 22 |
| XLogP | 3.1 |
