2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2′-dimer CAS#: 1831-70-5; ChemWhat Code: 111612
Identification
| Product Name | 2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2′-dimer |
| IUPAC Name | 2-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole |
| Molecular Structure |  |
| CAS Registry Number | 1831-70-5 |
| Synonyms | 1831-70-5 7292-18-4 2-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole EINECS 230-722-3 2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2′-dimer 2,2′-bis(2-methoxyphenyl)-4,4′,5,5′-tetraphenyl-2’h-1,2′-biimidazole SCHEMBL16749580 DTXSID00993701 VYQXQPVJLFTJQI-UHFFFAOYSA-N |
| Molecular Formula | C44H34N4O2 |
| Molecular Weight | 650.8 |
| InChI | InChI=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 Key | VYQXQPVJLFTJQI-UHFFFAOYSA-N |
| Isomeric SMILES | COC1=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 Information | ||
| Patent ID | Title | Publication Date |
| US2017/266081 | RADICAL POLYMERISATION INITIATORS FOR LIGHT-CURABLE DENTAL MATERIALS | 2017 |
Physical Data
| Appearance | Yellow powder |
| Purity | 96%min |
| Loss 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
| Conditions | Yield |
| With sodium hydroxide; potassium hexacyanoferrate(III) In dichloromethane; water for 18h; Experimental Procedure General 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
| Transportation | Store at room temperature for long time; sealed and away from light |
| HS Code | |
| Storage | Store at room temperature for long time; sealed and away from light |
| Shelf Life | 1 year |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 650.78 |
| logP | 10.984 |
| HBA | 4 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 54.1 |
| Rotatable Bond (RotB) | 9 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 2-(2-Methoxyphenyl)-4,5-diphenylimidazole-1,2′-dimer CAS#1831-70-5 (WI-IBAH701) CAS#: can be used in coating, inks photo resists. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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