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 | C41H28N8O2 |
| Molecular Weight | 664.71 g/mol |
| Exact Mass | 664.2335 Da |
| InChI |
InChI=1S/C41H28N8O2/c42-23-28-8-19-36(43-24-28)30-9-6-27(7-10-30)25-48-26-37(46-47-48)31-11-13-32(14-12-31)39-40(44-35-17-15-33(16-18-35)41(50)51)49-21-20-34(22-38(49)45-39)29-4-2-1-3-5-29/h1-22,24,26,44H,25H2,(H,50,51)
|
| InChIKey |
PZDZFIBYWPQJNI-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C2=CC3=NC(=C(NC4=CC=C(C=C4)C(=O)O)N3C=C2)C5=CC=C(C=C5)C6=CN(CC7=CC=C(C=C7)C8=CC=C(C#N)C=N8)N=N6
|
| Number of Atoms | 79 |
| Number of H-Bond Acceptors | 10 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 36 |
| XLogP | 3.8 |
