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 | C32H32N4O3 |
| Molecular Weight | 520.62 g/mol |
| Exact Mass | 520.2474 Da |
| InChI |
InChI=1S/C32H32N4O3/c1-21-15-31-35-27(17-33)32(34-18-23-7-4-3-5-8-23)36(31)19-30(21)39-20-25-9-6-10-26(22(25)2)24-11-12-28-29(16-24)38-14-13-37-28/h3-12,15-16,19,34H,13-14,17-18,20,33H2,1-2H3
|
| InChIKey |
SCRMKAUJAXTJSW-UHFFFAOYSA-N
|
| SMILES |
CC1=CC2=NC(=C(NCC3=CC=CC=C3)N2C=C1OCC4=C(C)C(=CC=C4)C5=CC6=C(C=C5)OCCO6)CN
|
| Number of Atoms | 71 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 14 |
| XLogP | 3.8 |
