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 | C17H19N3O |
| Molecular Weight | 281.35 g/mol |
| Exact Mass | 281.1528 Da |
| InChI |
InChI=1S/C17H19N3O/c1-17(2,3)19-16-15(12-7-6-8-13(21)11-12)18-14-9-4-5-10-20(14)16/h4-11,19,21H,1-3H3
|
| InChIKey |
SMBRAFOTVLPARM-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC=CC(=C2)O)N=C3C=CC=CN31
|
| Number of Atoms | 40 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 17 |
| XLogP | 3.0 |