5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride CAS#: 62769-24-8; ChemWhat Code: 930194

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride
IUPAC Namemanganese(3+);methoxybenzene;5,10,15-tris(4-methoxyphenyl)-21,23-dihydroporphyrin;dichloride
Molecular StructureStructure of 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride CAS 62769-24-8
CAS Registry Number 62769-24-8
MDL NumberMFCD09038959
Synonyms62769-24-8
5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride
Molecular FormulaC48H39Cl2MnN4O4
Molecular Weight861.7
InChIInChI=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 KeyOIOAQBHDVVOKIK-UHFFFAOYSA-L
Isomeric SMILESCOC1=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
Spectrumpotassium bromide
Bandspotassium bromide
Bands
BandsKBr
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
dichloromethane
Spectrumdichloromethane
methanol682, 558, 514, 460
dichloromethane479.2, 535.2, 589.6
Band assignmentbenzene479.2 nm – 627.6 nm
Band assignmenttetrahydrofuran350 nm – 700 nm
Band assignmentchloroform382.3 nm – 644.3 nm

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride CAS 62769-24-8
Route of Synthesis (ROS) of 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphinemanganese(III)chloride CAS 62769-24-8
ConditionsYield
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 StatementsNot Classified

Other Data

Storage
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
Molecular Weight823.229
logP
HBA8
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)43.4
Rotatable Bond (RotB)8
Matching Veber Rules2
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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