IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product Name3-Aminopyridine2,7-diaminopyrene-4,5,9,10-tetraoneineIUPAC NameMolecular StructureCAS Registry Number 2459874-51-0SynonymsMolecular FormulaC16H8N2O4Molecular Weight292.25InChIInChI Key
Patent InformationPatent IDTitlePublication DateCN111205195Carbonyl-containing covalent organic framework KT-Tp COFs material as well as preparation method and application thereof2020
Physical Data
Appearance
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1H
2,7-diaminopyrene-4,5,9,10-tetraone CAS#：2459874-51-0 NMR
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °CBandsBands, Spectrum
Route of Synthesis (ROS)
Route of Synthesis (ROS) of 2,7-diaminopyrene-4,5,9,10-tetraone CAS 2459874-51-0
ConditionsYieldWith sodium dithionite; sodium hydroxide In water at 50℃; for 0.25h;54%Experimental Procedure 1.3 3) Synthesis of 2,7-diamino-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrone (I-2):Put 2,7-dinitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrone(III, 1g, 2.8mmol) in a 500mL two-necked flask, add sodium hydroxide (8.9g, 224mmol), water (150mL ) And sodium dithionite (4.4g, 25.5mmol),Heat to 50 in an oil bath, stir for 15min,The reaction mixture was poured into saturated ammonium chloride solution (500 mL), filtered and washed with water until the filtrate was colorless to obtain a black powder, which was dried under vacuum at room temperature overnight.To obtain a crude product, the crude product (457mg), dichlorodicyanobenzoquinone (1.5g) and methanol (30mL) were mixed,Stir for 15h in 35 oil bath,The reaction solution was diluted with ethyl acetate (60 mL), filtered with suction,Washing with ethyl acetate gave a black solid (442 mg, yield 54%).97%
Safety and Hazards
No data available
Other Data
TransportationUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price
DruglikenessLipinski rules componentMolecular Weight292.251logP0.62HBA6HBD2Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)120.32Rotatable Bond (RotB)0Matching Veber Rules2
BioactivityQuantitative Results
Toxicity/Safety PharmacologyQuantitative Results
Use Pattern2,7-diaminopyrene-4,5,9,10-tetraone CAS#：2459874-51-0 is used as a COF/MOF ligand.
https://www.chemwhat.com/27-diaminopyrene-45910-tetraone-cas%ef%bc%9a2459874-51-0/
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