(OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE) CAS#: 166330-10-5; ChemWhat Code: 38736
Identification
| Product Name | (OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE) |
| IUPAC Name | [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane |
| Molecular Structure |  |
| CAS Registry Number | 166330-10-5 |
| EINECS Number | No data available |
| MDL Number | MFCD00233863 |
| Beilstein Registry Number | No data available |
| Synonyms | bis[2-(diphenylphosphino)phenyl] ether, 1,1′-[(oxidi-2,1-phenylene)]bis[1,1-diphenylphosphine], [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane, 1,1′-[(oxydi-2,1-phenylene)]bis[1,1-diphenylphosphine], 2,2’-bis(diphenylphosphino)diphenyl ether, 2,2′-oxybis(2,1-phenylene)bis(diphenylphosphane), 2,2′-oxybis(2,1-phenylene)bis(diphenylphosphine) |
| Molecular Formula | C36H28OP2 |
| Molecular Weight | 538.55 |
| InChI | InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H |
| InChI Key | RYXZOQOZERSHHQ-UHFFFAOYSA-N |
| Canonical SMILES | c1ccc(cc1)P(c2ccccc2)c3ccccc3Oc4ccccc4P(c5ccccc5)c6ccccc6 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN109867698 | Pyridine […] and imidazole – double-phosphine ruthenium complex and its preparation and use (by machine translation) | 2019 |
| US2013/143874 | FUSED RING PYRIDINE COMPOUND | 2013 |
| WO2004/101487 | CARBONYLATION PROCESS USING METAL-POLYDENTATE LIGAND CATALYSTS | 2004 |
| US6107521 | Process for the preparation of secondary amines | 2000 |
Physical Data
| Appearance | White or off-white crystalline powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 183 – 184 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 1H | benzene-d6 | |
| Spectrum | 31P | benzene-d6 | |
| Chemical shifts | 1H | benzene-d6 | 400 |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 500 |
| Chemical shifts | 13C | chloroform-d1 | 125 |
| Chemical shifts, Spectrum | 31P | chloroform-d1 | 202 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C |
| Bands |
| Description (Mass Spectrometry) |
| high resolution mass spectrometry (HRMS), electrospray ionisation (ESI), spectrum |
| electron impact (EI), spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | dichloromethane | |
| Spectrum | N,N-dimethyl-formamide | |
| Spectrum | benzene | |
| Band assignment, Spectrum | dichloromethane | |
| Spectrum | methanol | 265 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With dihydrogen peroxide In dichloromethane; water at 0℃; for 4h; | 94% |
| With water; dihydrogen peroxide In dichloromethane at 0℃; for 4h; | 94% |
| With dihydrogen peroxide In tetrahydrofuran at 20℃; for 2h; | 84% |
| With dihydrogen peroxide In dichloromethane Inert atmosphere; | |
| With dihydrogen peroxide In dichloromethane |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (93.81%): Harmful if swallowed [Warning Acute toxicity, oral] H413 (92.78%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P264, P270, P273, P301+P312, P330, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 293190 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 538.565 |
| logP | 11.345 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 36.41 |
| Rotatable Bond (RotB) | 8 |
| Matching Veber Rules | 2 |
| Use Pattern |
| (OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE) CAS#: 166330-10-5 used as a phosphine ligand, relying on hydrogen, and catalyzed by ruthenium, to synthesize greener amines from amines and alcohols. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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