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 | C19H27N3O5 |
| Molecular Weight | 377.44 g/mol |
| Exact Mass | 377.1951 Da |
| InChI |
InChI=1S/C19H27N3O5/c23-10-12-15(24)16(25)17(26)18(27-12)14-19(20-11-6-2-1-3-7-11)22-9-5-4-8-13(22)21-14/h4-5,8-9,11-12,15-18,20,23-26H,1-3,6-7,10H2/t12-,15-,16+,17-,18+/m1/s1
|
| InChIKey |
WYSXKLKZHBGHSQ-CUWKQTPXSA-N
|
| SMILES |
C1CCC(CC1)NC2=C([C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)N=C4C=CC=CN42
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 8 |
| Number of H-Bond Donors | 5 |
| Atoms in the Largest π-System | 10 |
| XLogP | 1.2 |
