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 | C6H11N |
| Molecular Weight | 97.16 g/mol |
| Exact Mass | 97.0891 Da |
| InChI |
InChI=1S/C6H11N/c1-3-4-5-6-7-2/h3-6H2,1H3
|
| InChIKey |
QVUBMHTYZLUXSP-UHFFFAOYSA-N
|
| SMILES |
CCCCC[N+]#[C-]
|
| Number of Atoms | 18 |
| Number of H-Bond Acceptors | 0 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 1 |
| XLogP | 1.7 |