(S)-RuCl[(p-cymene(BINAP)]Cl - ≥99.95% metals basis , CAS No.130004-33-0

CAS: 130004-33-0 Cat. No.: S294487 Peso molecular: 928.87 Número EC: 631-328-8 PubChem CID: 11147374

GRADE & PURITY ≥99.95% metals basis

Synonyms

130004-33-0|145926-28-9|(R)-RuCl[(p-cymene)(BINAP)]Cl|(S)-RuCl[(p-cymene(BINAP)]Cl|Chloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) Chloride|(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHALENECHLORO(P-CYMENE)RUTHENIUM

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

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

Reaction type
Hydrogenation, Asymmetric Reactions, Asymmetric Hydrogenation, Transfer Hydrogenation

Chemical properties

Chemical formula

C54H46Cl2P2Ru

Empirical formula

[RuCl(p-cymene)(S)-BINAP)]Cl

Molecular weight

928.88

Metal

Ru

Theoretical metal content

11

Physical state

powder

Color
Metal purity

red orange

99.95

Applications & references

Synthesis of (R)- or (S)-4-halo-3-hydroxybuyrate ester by asymmetric hydrogenation of 4-halo-3-oxobutanoate ester; this reaction can be applied in the Producteion of L-carnitine.

Reference: EP2386536

Enantioselective hydrogenation of functionalized ketones.

Reference: EP0366390

Asymmetric hydrogenation of halogenated acetophenones to enantiomerically pure halogenated phenyl ethanol derivatives.

Reference: Cat. Lett. 1996, 41, 111 (DOI: 10.1007/BF00811721)

Highly enantioselective catalytic hydrogenation of methyl-N-tertbutyl-3-oxoglutarate as a key step in the total synthesis of rovastatin.

Reference: Tetrah. Lett. 2008, 49, 4836 (DOI: 10.1016/j.tetlet.2008.06.018)

Enantioselective hydrogenation of 4-(hydroxymethyl)furan-2(5H)-one derivatives.

Reference: J. Mol. Cat. A: Chem. 2006, 259, 103 (DOI: 10.1016/j.molcata.2006.05.066)

Specifications

Sinónimos

130004-33-0 | 145926-28-9 | (R)-RuCl[(p-cymene)(BINAP)]Cl | (S)-RuCl[(p-cymene(BINAP)]Cl | Chloro[(R)-(+)-2, 2'-bis(diphenylphosphino)-1, 1'-binaphthyl](p-cymene)ruthenium(II) Chloride | (R)-(+)-2, 2'-BIS(DIPHENYLPHOSPHINO)-1, 1'-BINAPHTHALENECHLORO(P-CYMENE)RUTHENIUM

Especificaciones y pureza

≥99.95% metals basis

Información jurídica

Product of Umicore

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99.95% metals basis

Nombres e identificadores

• Pubchem Sid: 504766074
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766074
• Sonrisas canónicas: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
• IUPAC Name: dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene
• InChIKey: WNHLGYRPKARUHY-UHFFFAOYSA-L
• INCHI: 1S/C44H32P2.C10H14.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-8(2)10-6-4-9(3)5-7-10;;;/h1-32H;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
• Isómeros SMILES: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
• WGK Alemania: 3
• PubChem CID: 11147374
• Peso molecular: 928.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Naphthalenes Aromatic monoterpenoids Phenylpropanes Cumenes Toluenes Aromatic hydrocarbons Organic phosphines and derivatives Organic transition metal salts Organic metal halides Unsaturated hydrocarbons Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Naphthalene - Cumene - Phenylpropane - Toluene - Phenylphosphine - Aromatic hydrocarbon - Phosphine - Organic metal halide - Organic metal salt - Organic transition metal salt - Organic salt - Organophosphorus compound - Hydrocarbon derivative - Unsaturated hydrocarbon - Organic chloride salt - Organic cation - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

• Sensibilidad: Air & Moisture sensitive
• Peso molecular: 928.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 928.15 Da
• Monoisotopic Mass: 928.15 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 59
• Formal Charge: 0
• Complexity: 886.000
• 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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