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 | C30H30N4O |
| Molecular Weight | 462.59 g/mol |
| Exact Mass | 462.2420 Da |
| InChI |
InChI=1S/C30H30N4O/c1-21-25(14-9-15-27(21)24-12-7-4-8-13-24)20-35-26-16-17-29-33-28(18-31)30(34(29)19-26)32-22(2)23-10-5-3-6-11-23/h3-17,19,22,32H,18,20,31H2,1-2H3
|
| InChIKey |
FEJOTAYQZFZDTB-UHFFFAOYSA-N
|
| SMILES |
CC1=C(C=CC=C1COC2=CN3C(=NC(=C3NC(C)C4=CC=CC=C4)CN)C=C2)C5=CC=CC=C5
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 12 |
| XLogP | 5.4 |
