bis((2-aminoethyl)diphenylphosphane); dichlororuthenium

• ChemBase ID: 141280
• Molecular Formular: C28H32Cl2N2P2Ru
• Molecular Mass: 630.490602
• Monoisotopic Mass: 630.04612665
• SMILES: c1ccc(cc1)P(CCN)c1ccccc1.c1ccc(cc1)P(CCN)c1ccccc1.Cl[Ru]Cl
• Canonical SMILES: NCCP(c1ccccc1)c1ccccc1.NCCP(c1ccccc1)c1ccccc1.Cl[Ru]Cl
• 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
• InChIKey: BJNVYFXBTNBKRU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((2-aminoethyl)diphenylphosphane); dichlororuthenium
• IUPAC Traditional name: bis((2-aminoethyl)diphenylphosphane); dichlororuthenium
• Synonyms: Dichlorobis[2-(diphenylphosphino-κP)ethanamine-κN]ruthenium; Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II); 二氯双(2-(二苯基膦)乙胺)钌(II)

Database IDs

• CAS Number: 506417-41-0
• MDL Number: MFCD07782004
• PubChem SID: 24884703; 162235514
• PubChem CID: 16218155

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7103076
• LogD (pH = 7.4): 0.0868999
• Log P: 2.7047
• Molar Refractivity: 69.8507 cm^3
• Polarizability: 27.91693 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130-135 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C28H32Cl2N2P2Ru

DETAILS

Sigma Aldrich - 664979

Packaging
1 g in glass bottle
250 mg in glass bottle
Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.
Application
Catalyst for:
• Synthesis of long chain linear fatty acid esters1
• Preparation of ruthenium borohydride complexes for use in hydrogenation reactions2
• Dehydrogenation of ammonia boranes3
• Chemoselective reduction of carboxylic esters4
• Synthesis of ruthenium beta-aminophosphine hydrido/chloro complexes with catalytic activities5