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 | C30H30O8 |
| Molecular Weight | 518.56 g/mol |
| Exact Mass | 518.1941 Da |
| InChI |
InChI=1S/C30H30O8/c1-15-9-17-19(11-23(33-3)27(35-5)21(17)13-31)29(37-7)25(15)26-16(2)10-18-20(30(26)38-8)12-24(34-4)28(36-6)22(18)14-32/h9-14H,1-8H3
|
| InChIKey |
NNSSPJNJPWEHMA-UHFFFAOYSA-N
|
| SMILES |
CC1=C(C2=C(C3=CC(=C(C(=C3C=C2C)C=O)OC)OC)OC)C(=C4C=C(C(=C(C=O)C4=C1)OC)OC)OC
|
| Number of Atoms | 68 |
| Number of H-Bond Acceptors | 8 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 30 |
| XLogP | 3.6 |
