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 | C9H6O |
| Molecular Weight | 130.14 g/mol |
| Exact Mass | 130.0419 Da |
| InChI |
InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
|
| InChIKey |
IDASOVSVRKONFS-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)C#CC=O
|
| Number of Atoms | 16 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 2.4 |