5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride CAS#: 62769-24-8; ChemWhat Code: 930194
Identification
| Product Name | 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride |
| IUPAC Name | manganese(3+);methoxybenzene;5,10,15-tris(4-methoxyphenyl)-21,23-dihydroporphyrin;dichloride |
| Molecular Structure |  |
| CAS Registry Number | 62769-24-8 |
| MDL Number | MFCD09038959 |
| Synonyms | 62769-24-8 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride |
| Molecular Formula | C48H39Cl2MnN4O4 |
| Molecular Weight | 861.7 |
| InChI | InChI=1S/C41H32N4O3.C7H7O.2ClH.Mn/c1-46-30-12-4-25(5-13-30)39-33-18-10-28(42-33)24-29-11-19-34(43-29)40(26-6-14-31(47-2)15-7-26)36-21-23-38(45-36)41(37-22-20-35(39)44-37)27-8-16-32(48-3)17-9-27;1-8-7-5-3-2-4-6-7;;;/h4-24,42,45H,1-3H3;3-6H,1H3;2*1H;/q;-1;;;+3/p-2 |
| InChI Key | OIOAQBHDVVOKIK-UHFFFAOYSA-L |
| Isomeric SMILES | COC1=CC=[C-]C=C1.COC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)N3.[Cl-].[Cl-].[Mn+3] |
Physical Data
No data available
Spectra
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| ATR (attenuated total reflectance), Bands | |
| Spectrum | potassium bromide |
| Bands | potassium bromide |
| Bands | |
| Bands | KBr |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| dichloromethane | |||
| Spectrum | dichloromethane | ||
| methanol | 682, 558, 514, 460 | ||
| dichloromethane | 479.2, 535.2, 589.6 | ||
| Band assignment | benzene | 479.2 nm – 627.6 nm | |
| Band assignment | tetrahydrofuran | 350 nm – 700 nm | |
| Band assignment | chloroform | 382.3 nm – 644.3 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sodium tetrahydroborate In methanol byproducts: H2; Mn-compd. addn. to NaBH4 in round-bottom flask, purging N2 for 20 min, solvent addn., stirring (N2) until H2 ceased, NO bubbling into soln. for 20 min, pptn.; ppt. filtration under N2; | 65% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Storage | |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 823.229 |
| logP | |
| HBA | 8 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 43.4 |
| Rotatable Bond (RotB) | 8 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride is an effective catalyst for a variety of oxidation reactions, including epoxidation of olefins, hydroxylation of hydrocarbons, and oxidation of alcohols. These reactions are very important in organic synthesis and industrial chemical processes. |
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