meso-Tera(4-methoxyphenyl)porphyrin-Cu(II) CAS#: 24249-30-7

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

Identification

Product Namemeso-Tera(4-methoxyphenyl)porphyrin-Cu(II)
IUPAC Namecopper;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
Molecular StructureStructure of meso-Tera(4-methoxyphenyl)porphyrin-Cu(II) CAS 24249-30-7
CAS Registry Number 24249-30-7
EINECS NumberNo data available
MDL NumberNo data available
Beilstein Registry NumberNo data available
SynonymsYSWG543; 5,10,15,20-Tetrakis(3-methoxyphenyl)porphyrinatonickel; copper;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide; cupric;5,10,15,20-tetrakis(4-methoxyphenyl)porphine-22,24-diide
Molecular FormulaC48H36CuN4O4
Molecular Weight796.39
InChIInChI=1S/C48H36N4O4.Cu/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;+2
InChI KeySRXJYJQOZHEHQG-UHFFFAOYSA-N
Canonical SMILESCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Cu+2]
Patent Information
No data available

Physical Data

AppearanceWhite powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hdimethylsulfoxide-d626.84500
Chemical shifts1Hdimethylsulfoxide-d6300
Spectrum1H25125
Spectrum13C25125
Spectrum1Hd7-N,N-dimethylformamide
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °C
Bands, Spectrum
Intensity of IR bands, Bands, Spectrumpotassium bromide
ATR (attenuated total reflectance), Bandspotassium bromide
Spectrum25
Intensity of IR bands, Bandspotassium bromide
Description (Mass Spectrometry)
electrospray ionisation (ESI), spectrum
high resolution mass spectrometry (HRMS), electrospray ionisation (ESI), spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
SpectrumN,N-dimethyl-formamide
Spectrumdimethyl sulfoxide
in the presence of additive(s), Band assignment, Spectrumwater426
Band assignment, Spectrumdimethyl sulfoxide426

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Zinc(II) meso-tetra(4-pyridyl)porphine CAS 31183-11-6
Route of Synthesis (ROS) of Zinc(II) meso-tetra(4-pyridyl)porphine CAS 31183-11-6
ConditionsYield
In N,N-dimethyl-formamide at 50℃; for 18h; Inert atmosphere;98%
In N,N-dimethyl-formamide at 100℃; for 10h; Schlenk technique; Inert atmosphere;95%
In N,N-dimethyl-formamide for 2h; Reflux;84.7%
In N,N-dimethyl-formamide at 20℃; for 120h;80%

Safety and Hazards

GHS Hazard StatementsNot Classified
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationUnder the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight682.074
HBA8
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)55.92
Rotatable Bond (RotB)4
Matching Veber Rules2
Use Pattern
meso-Tera(4-methoxyphenyl)porphyrin-Cu(II) CAS#: 24249-30-7 used as the intermediates of porphyrin class of compounds.

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