Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) CAS#: 506417-41-0; 凯望编码 (ChemWhat Code): 893101

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II)
IUPAC Namedichlororuthenium;2-diphenylphosphanylethanamine
分子结构DICHLOROBIS2-DIPHENYLPHOSPHINOETHYLA-CAS-506417-41-0
CAS编号 506417-41-0
别名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
分子式C28H32Cl2N2P2Ru
分子量630.5
InChIInChI=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 KeyBJNVYFXBTNBKRU-UHFFFAOYSA-L
SMILESC1=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 IDTitlePublication Date
US2018/312454PROCESS FOR THE PREPARATION OF DEUTERATED ETHANOL FROM D22018

Physical Data

AppearanceYellow powder

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts31Pdichloromethane-d227161.839
Chemical shifts31Pdichloromethane-d227161.8
Chemical shifts, Spectrum31P1,4-dioxane-d830162

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) CAS 506417-41-0
Route of Synthesis (ROS) of Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) CAS 506417-41-0
ConditionsYield
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 StatementsNot Classified

Other Data

Druglikeness
Lipinski rules component
分子量630.499
HBA2
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)0
Rotatable Bond (RotB)4
Matching Veber Rules2
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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