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 | C20H19ClN2O4S |
| Molecular Weight | 418.90 g/mol |
| Exact Mass | 418.0754 Da |
| InChI |
InChI=1S/C20H19ClN2O4S/c1-27-19-9-6-16(21)14-18(19)20(24)22-11-10-15-4-7-17(8-5-15)28(25,26)23-12-2-3-13-23/h2-9,12-14H,10-11H2,1H3,(H,22,24)
|
| InChIKey |
CXLSYXGECDZJJM-UHFFFAOYSA-N
|
| SMILES |
COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3C=CC=C3)Cl
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 14 |
| XLogP | 1.7 |
