Dichloro(p-cymene)ruthenium dimer - ≥97%(T) , CAS No.52462-29-0

CAS: 52462-29-0 Cat. No.: D102667 Peso molecular: 612.39 Número EC: 629-445-4

GRADE & PURITY ≥97%(T)

Synonyms

Chiralyst P612 | Di-micro-chlorobis[(p-cymene)chloro-ruthenium] | dichlororuthenium;1-methyl-4-propan-2-ylbenzene | LAXRNWSASWOFOT-UHFFFAOYSA-J | FT-0624694 | Dichloro-(p-cymene)ruthenium (II) dimer | dichloro(p-cymene)ruthenium (II) dimer | dichloro(p-cy

Storage

Protected from light,Room temperature,Desiccated,Cool

Shipped In

Normal

Descripción general

Hydrosilylation Catalysts Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis Cyclometalated ruthenium complexes with arylimines and nitrogen-containing heterocycles via C-H bond activation

Application

Silicone hydrogenation catalysts Pre-catalysts for asymmetry and cross-coupling catalysis Ring metallized palladium reacts with aramids and nitrogen-containing heterocyclics through C-H bond activation.

Product class
M-C, Homogeneous Catalysts, Arene/Aryl Ligands

Reaction type
Hydrogenation, Asymmetric Reactions, CH-Activation, Asymmetric Hydrogenation, Transfer Hydrogenation, Oxidation

Chemical properties

Chemical formula

C20H28Cl4Ru2

Empirical formula

[Ru(p-cymene)CI2]2

Molecular weight

612.39

Metal

Ru

Theoretical metal content

33

Physical state

crystalline

Color

dark red

Specifications

Sinónimos

Chiralyst P612 | Di-micro-chlorobis[(p-cymene)chloro-ruthenium] | dichlororuthenium;1-methyl-4-propan-2-ylbenzene | LAXRNWSASWOFOT-UHFFFAOYSA-J | FT-0624694 | Dichloro-(p-cymene)ruthenium (II) dimer | dichloro(p-cymene)ruthenium (II) dimer | dichloro(p-cy

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488196909
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196909
• Sonrisas canónicas: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
• IUPAC Name: dichlororuthenium;1-methyl-4-propan-2-ylbenzene
• InChIKey: LAXRNWSASWOFOT-UHFFFAOYSA-J
• INCHI: 1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
• Isómeros SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
• WGK Alemania: 2
• Peso molecular: 612.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Toluenes Aromatic hydrocarbons Organic transition metal salts Organic metal halides Unsaturated hydrocarbons Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Toluene - Monocyclic benzene moiety - Benzenoid - Aromatic hydrocarbon - Organic metal halide - Organic transition metal salt - Organic chloride salt - Hydrocarbon derivative - Unsaturated hydrocarbon - Organic salt - Hydrocarbon - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 247.0-250.0°C
• Peso molecular: 612.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 615.901 Da
• Monoisotopic Mass: 611.903 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 89.000
• 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: 4

XLogP3

Referencias

1. Li Jianying, Liu Rong, Ye Qian, Cai Mingzhong.  (2022)  Recyclable [RuCl2(p-cymene)]2/PEG-400/H2O System for Efficient Annulation of N-Methoxybenzamides with Alkynes Under External Oxidant-Free Conditions.  CATALYSIS LETTERS,  153  (3): (732-739).  [PMID:] [10.1007/s10562-022-04040-0]

2. Hongrui Lan, Qiuyu Wu, Jingyu Huang, Jianbo Ding, Xianghong Li, Chunya Li.  (2025)  New photo-activated NO donors based on cyclometalated ruthenium nitrosyls.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144838]