Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) - ≥95%, mixture of isomers , CAS No.506417-41-0

CAS: 506417-41-0 Cat. No.: D118510 Molecular Weight: 630.49 EC Number: 623-516-3 PubChem CID: 16218155

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

SCHEMBL1767611 | Dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium(II) | F72876 | Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) | dichlororuthenium | DTXSID30584787 | AKOS015900275 | SC10243 | MFCD07782004 | 2-diphenylphosphanylethanamine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Catalyst for:
Synthesis of long chain linear fatty acid esters
Preparation of ruthenium borohydride complexes for use in hydrogenation reactions
Dehydrogenation of ammonia boranes
Chemoselective reduction of carboxylic esters
Synthesis of ruthenium beta-aminophosphine hydrido/chloro complexes with catalytic activities

Specifications

Synonyms

SCHEMBL1767611 | Dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium(II) | F72876 | Dichlorobis(2-(diphenylphosphino)ethylamine)ruthenium(II) | dichlororuthenium | DTXSID30584787 | AKOS015900275 | SC10243 | MFCD07782004 | 2-diphenylphosphanylethanamine

Specifications & Purity

≥95%, mixture of isomers

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical 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
• IUPAC Name: dichlororuthenium;2-diphenylphosphanylethanamine
• InChIKey: BJNVYFXBTNBKRU-UHFFFAOYSA-L
• 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
• Isomeric 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
• WGK Germany: 3
• PubChem CID: 16218155
• Molecular Weight: 630.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Monocyclic benzene moiety - Phosphine - Organic metal salt - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary amine - Organophosphorus compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 130-135°C
• Molecular Weight: 630.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 630.046 Da
• Monoisotopic Mass: 630.046 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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