HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethanol,2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]-
Cyclopenta[b]pyridine · 2,3-CYCLOPENTENOPYRIDINE · Cyclopenta[b]pyridine, 98%+ · 6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINE · Ethanol, 2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]- · (E)-2-((4-((4-hexyl-5-nitrothiazol-2-yl)diazenyl)phenyl)(4,4,4-trifluorobutyl)amino)ethan-1-ol
![Ethanol,2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]- molecular structure](/img/chemical/178860052.png)
Identifiers & Physical Properties
| CAS No. | 583-37-9 |
|---|---|
| Molecular formula | C21H28F3N5O3S |
| Average molar mass | 487.5 g/mol |
| SMILES | CCCCCCc1nc(N=Nc2ccc(N(CCO)CCCC(F)(F)F)cc2)sc1[N+](=O)[O-] |
| InChIKey | UWNZFTKBUFLQIZ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 7.3 |
|---|---|
| Topological polar surface area | 135 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 13 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 601 |
| Boiling point | 590.4±60.0 °C(Predicted) |
| Density | 1.32±0.1 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Oil |
| pKa (acidity coefficient) | 14.49±0.10(Predicted) |
| Color | Colourless |
Applications & Uses
Uses
2,3-Cyclopentenopyridine is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone.