Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach
Dileep Kumar Singh and Rajesh Kumar
Beilstein J. Org. Chem. 2023, 19, 928–955.
https://doi.org/10.3762/bjoc.19.71
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C12H13N |
| Molecular Weight | 171.24 g/mol |
| Exact Mass | 171.1048 Da |
| InChI |
InChI=1S/C12H13N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h1-7,9-10H,8,11H2
|
| InChIKey |
KKCMGDGJMRZKJP-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C(C=C1)CCN2C=CC=C2
|
| Number of Atoms | 26 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 2.8 |