meso-Tetrakis(4-chlorophenyl)porphyrin-Mn(III)chloride CAS#: 62613-31-4; ChemWhat Code: 933985
Identification
| Product Name | meso-Tetrakis(4-chlorophenyl)porphyrin-Mn(III)chloride |
| Molecular Structure |  |
| CAS Registry Number | 62613-31-4 |
| Synonyms | Chlor[5,10,15,20-tetrakis(4-chlorphenyl)porphyrinato(2-)-κ2N21,N23]mangan [German] [ACD/IUPAC Name] Chloro[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato(2-)-κ2N21,N23]manganese [ACD/IUPAC Name] Chloro[5,10,15,20-tétrakis(4-chlorophényl)porphyrineato(2-)-κ2N21,N23]manganèse [French] [ACD/IUPAC Name] Manganese, chloro[5,10,15,20-tetrakis(4-chlorophenyl)-21H,23H-porphinato(2-)-κN21,κN23]- [ACD/Index Name] 62613-31-4 [RN] MFCD31537214 |
Physical Data
| Appearance | Purple powder |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C |
| Chemical shifts | 13C | dichloromethane-d2 | 24.84 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | KBr |
| Bands | |
| Bands | KBr |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | |||
| in the presence of additive(s), Spectrum | dichloromethane | 374, 400, 478, 528, 583, 618 | |
| dichloromethane | 462 | ||
| CHCl3 | 477.6 nm – 621.2 nm | ||
| dichloromethane | 477.6, 532, 585.6 | ||
| Band assignment | benzene | 477.6 nm – 621.2 nm | |
| Band assignment | tetrahydrofuran | 350 nm – 700 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| With aluminum (III) chloride In N,N-dimethyl-formamide for 2.5h; Reflux; Experimental Procedure Add 2500mL DMF into a stirred reactor with a reflux condenser, add 2 moles of anhydrous aluminum trichloride, 0.75 moles of 4-chlorobenzaldehyde, 0.5 moles of pyrrole and 2 moles of manganese dichloride in sequence under stirring, and heat to react. After the mixture was refluxed and maintained for 2.5 hours, the reaction was stopped, the temperature was lowered, and it was left overnight at 273K, and filtered with suction to obtain tetrakis(4-chlorophenyl)porphyrin manganese purple black crystals with a yield of 48%. | 45% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
No data available
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 840.904 |
| logP | |
| HBA | 4 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 36.48 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| meso-Tetrakis(4-chlorophenyl)porphyrin-Mn(III)chloride is an effective catalyst for various organic oxidation reactions, such as the epoxidation of olefins, hydroxylation of alkanes, and oxidation of alcohols. These reactions are essential in organic synthesis and industrial chemistry. meso-Tetrakis(4-chlorophenyl)porphyrin-Mn(III)chloride is used in environmental chemistry to catalyze the degradation of persistent organic pollutants, such as dyes and harmful substances in wastewater, contributing to environmental protection and water treatment. |
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