IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product Name2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimerIUPAC Name2-(2-methoxyphenyl)-1--4,5-diphenylimidazoleMolecular StructureCAS Registry Number 1831-70-5Synonyms1831-70-57292-18-42-(2-methoxyphenyl)-1--4,5-diphenylimidazoleEINECS 230-722-32-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimer2,2'-bis(2-methoxyphenyl)-4,4',5,5'-tetraphenyl-2'h-1,2'-biimidazoleSCHEMBL16749580DTXSID00993701VYQXQPVJLFTJQI-UHFFFAOYSA-NMolecular FormulaC44H34N4O2 Molecular Weight650.8InChIInChI=1S/C44H34N4O2/c1-49-37-29-17-15-27-35(37)43-45-41(33-23-11-5-12-24-33)42(34-25-13-6-14-26-34)48(43)44(36-28-16-18-30-38(36)50-2)46-39(31-19-7-3-8-20-31)40(47-44)32-21-9-4-10-22-32/h3-30H,1-2H3 InChI KeyVYQXQPVJLFTJQI-UHFFFAOYSA-N Isomeric SMILESCOC1=CC=CC=C1C2=NC(=C(N2C3(N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6OC)C7=CC=CC=C7)C8=CC=CC=C8
Patent InformationPatent IDTitlePublication DateUS2017/266081RADICAL POLYMERISATION INITIATORS FOR LIGHT-CURABLE DENTAL MATERIALS2017
Physical Data
AppearanceYellow powderPurity96%minLoss on Drying 0.5%
Melting Point, °C 169 - 200
Spectra
Route of Synthesis (ROS)
Route of Synthesis (ROS) of WI-IBAH701 CAS 1831-70-5
ConditionsYieldWith sodium hydroxide; potassium hexacyanoferrate(III) In dichloromethane; water for 18h;Experimental ProcedureGeneral procedure: The 2-(2,4-dichlorophenyl-4,5-diphenylimidazole) was oxidised to the dimer bis 2-(2,4-dichlorophenyl-4,5-diphenylimidazole) following the procedure given in method 1.2 for bis 2-(2-chlorophenyl-4,5-diphenylimidazole), except that the toluene was replaced by dichloromethane as solvent
Safety and Hazards
No data available
Other Data
TransportationStore at room temperature for long time; sealed and away from lightHS CodeStorageStore at room temperature for long time; sealed and away from lightShelf Life1 year
DruglikenessLipinski rules componentMolecular Weight650.78logP10.984HBA4HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)54.1Rotatable Bond (RotB)9Matching Veber Rules2
Use Pattern2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2'-dimer CAS#1831-70-5 (WI-IBAH701) CAS#: can be used in coating, inks photo resists. And it can use as antioxidants, helping prevent oxidation reactions and have potential applications in drug development, being involved in drug molecule design and synthesis
https://www.chemwhat.com/2-2-methoxyphenyl-45-diphenylimidazole-12-dimer-cas-1831-70-5/
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