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 | C23H23N3 |
| Molecular Weight | 341.45 g/mol |
| Exact Mass | 341.1892 Da |
| InChI |
InChI=1S/C23H23N3/c1-23(2,3)25-22-21(18-12-8-5-9-13-18)24-20-15-14-19(16-26(20)22)17-10-6-4-7-11-17/h4-16,25H,1-3H3
|
| InChIKey |
OIUONTFEFIUGRJ-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC=CC=C2)N=C3C=CC(=CN31)C4=CC=CC=C4
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 22 |
| XLogP | 5.4 |