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 | C35H36O6 |
| Molecular Weight | 552.66 g/mol |
| Exact Mass | 552.2512 Da |
| InChI |
InChI=1S/C35H36O6/c36-21-31-33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)32(41-31)26-37-22-27-13-5-1-6-14-27/h1-21,31-35H,22-26H2/t31-,32+,33-,34+,35+/m0/s1
|
| InChIKey |
KKPOREZWWWRARY-IVFJIKSYSA-N
|
| SMILES |
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](C=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
|
| Number of Atoms | 77 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 3.5 |
