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 | C21H21N5O |
| Molecular Weight | 359.43 g/mol |
| Exact Mass | 359.1746 Da |
| InChI |
InChI=1S/C21H21N5O/c1-2-3-8-13-22-19-18-14-9-4-6-11-16(14)23-21(27)25(18)20-15-10-5-7-12-17(15)24-26(19)20/h4-7,9-12,22H,2-3,8,13H2,1H3,(H,23,27)
|
| InChIKey |
AOEKNOMOCXOREJ-UHFFFAOYSA-N
|
| SMILES |
CCCCCNC1=C2C3=C(C=CC=C3)NC(=O)N2C4=C5C=CC=CC5=NN14
|
| Number of Atoms | 48 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 22 |
| XLogP | 3.5 |
