Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) CAS#: 506417-41-0; ChemWhat Code: 893101
Identification
| Product Name | Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) |
| IUPAC Name | dichlororuthenium;2-diphenylphosphanylethanamine |
| Molecular Structure |  |
| CAS Registry Number | 506417-41-0 |
| Synonyms | 506417-41-0 Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) Dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium(II) dichlororuthenium;2-diphenylphosphanylethanamine SCHEMBL1767611 DTXSID30584787 MFCD07782004 AKOS015900275 DB-216527 F72876 2-(Diphenylphosphanyl)ethanamine-dichlororuthenium (2:1) dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium (ii) 2-(Diphenylphosphanyl)ethan-1-amine–dichlororuthenium (2/1) Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II), 95% DICHLOROBIS[2-(DIPHENYLPHOSPHINO-KAPPAP)ETHANAMINE-KAPPAN]RUTHENIUM |
| Molecular Formula | C28H32Cl2N2P2Ru |
| Molecular Weight | 630.5 |
| InChI | InChI=1S/2C14H16NP.2ClH.Ru/c2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;/h2*1-10H,11-12,15H2;2*1H;/q;;;;+2/p-2 |
| InChI Key | BJNVYFXBTNBKRU-UHFFFAOYSA-L |
| SMILES | C1=CC=C(C=C1)P(CCN)C2=CC=CC=C2.C1=CC=C(C=C1)P(CCN)C2=CC=CC=C2.Cl[Ru]Cl |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2018/312454 | PROCESS FOR THE PREPARATION OF DEUTERATED ETHANOL FROM D2 | 2018 |
Physical Data
| Appearance | Yellow powder |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 31P | dichloromethane-d2 | 27 | 161.839 |
| Chemical shifts | 31P | dichloromethane-d2 | 27 | 161.8 |
| Chemical shifts, Spectrum | 31P | 1,4-dioxane-d8 | 30 | 162 |
Route of Synthesis (ROS)
| Conditions | Yield |
| In toluene at 100℃; for 6h; Glovebox; Schlenk technique; Experimental Procedure 2 <sub>0</sub>Preparation of [RuCl<sub>2</sub>(Ph<sub>2</sub>PCH<sub>2</sub>CH<sub>2</sub>NH<sub>2</sub>)<sub>2</sub>] (2) In a glove box, [RuCl2(PPh3)3] (0.25 mmol) was added to a schlenk flask equipped with a magnetic stir bar. The flask was then attached to a schlenk line and 3.4 mL of freshly distilled toluene added. The mixture was then rapidly stirred. A 1.7 mL toluene solution of Ph2PCH2CH2NH2, (0.50 mmol) in an NMR tube was then added via a cannula. Any residue in the NMR tube and cannula was washed into the flask with 1.7 mL of toluene. The light yellow mixture was then heated at 100° C. for 6 h. The yellow suspension that resulted was allowed to cool to RT before collecting the precipitate by filtration under Argon. The precipitate was then washed with 10.0 mL portions of toluene, three times (until colorless). The yellow solid was then dried in vacuo. Yield: 90%. Note: Excessive scraping of the product should be minimised to prevent the build-up of static electricity | 90% |
| In toluene at 100℃; for 6h; Schlenk technique; | 90% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 630.499 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) CAS#: 506417-41-0 is primarily used as a homogeneous catalyst in hydrogenation, isomerization, and carbon–carbon bond-forming reactions. |
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| Warshel Chemical Ltd | https://www.warshel.com/ |
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