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 | C24H24FN5O |
| Molecular Weight | 417.48 g/mol |
| Exact Mass | 417.1965 Da |
| InChI |
InChI=1S/C24H24FN5O/c1-24(2,3)29-22-21(28-20-9-4-5-12-30(20)22)15-7-6-8-16(13-15)23(31)27-19-11-10-17(25)14-18(19)26/h4-14,29H,26H2,1-3H3,(H,27,31)
|
| InChIKey |
GKGCYVKOTVLEOB-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3N)F)N=C4C=CC=CN41
|
| Number of Atoms | 55 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 26 |
| XLogP | 2.9 |
