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 | C20H23N3 |
| Molecular Weight | 305.42 g/mol |
| Exact Mass | 305.1892 Da |
| InChI |
InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3
|
| InChIKey |
MSFAKTKOBQPBBX-UHFFFAOYSA-N
|
| SMILES |
CC1=CC=C(C=C1)C2=C(NC3CCCCC3)N4C=CC=CC4=N2
|
| Number of Atoms | 46 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 16 |
| XLogP | 4.6 |
