Hoveyda-Grubbs Catalyst 1st Generation - ≥99.95% metals basis , CAS No.203714-71-0

CAS: 203714-71-0 Cat. No.: H283948 Peso molecular: 600.61 Número EC: 692-988-0

GRADE & PURITY ≥99.95% metals basis

Synonyms

203714-71-0|Hoveyda-Grubbs Catalyst 1st Generation|Dichloro(2-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium (II)|Dichloro(o-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II)|dichloro-[(2-propan-2-yloxyphenyl)methylidene]rutheni

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Olefin metathesis catalyst. Catalyst used in ring-closing metathesis with concomitant cis-vicinal dihyroxylation. Also employed in a pivotal, macrocyclic ring-closing metathesis in the multi-step synthesis of an HCV protease inhibitor.

Product class
M-P, Homogeneous Catalysts, M-C, Hoveyda-Grubbs Catalyst® 1st Generation, Carbene Ligands, Phosphorus Ligands - Achiral

Reaction type
Alkene Metathesis, Acyclic Diene Metathesis, Cross Metathesis, Ring Arrangement Metathesis , Ring Closing Metathesis, Ring Opening Metathesis Polymerization, Self Metathesis

Chemical properties

Chemical formula

C28H45Cl2OPRu

Molecular weight

600.61

Metal

Ru

Theoretical metal content

17

Physical state

powder

Color

brown

Metal purity

99.95

Specifications

Sinónimos

203714-71-0 | Hoveyda-Grubbs Catalyst 1st Generation | Dichloro(2-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium (II) | Dichloro(o-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II) | dichloro-[(2-propan-2-yloxyphenyl)methylidene]rutheni

Especificaciones y pureza

≥99.95% metals basis

Información jurídica

Product of Umicore Grubbs Catalyst is a registered trademark of Umicore

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

• Sonrisas canónicas: CC(C)OC1=CC=CC=C1C=[Ru](Cl)Cl.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• IUPAC Name: dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tricyclohexylphosphane
• InChIKey: KMKCJXPECJFQPQ-UHFFFAOYSA-L
• INCHI: 1S/C18H33P.C10H12O.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)11-10-7-5-4-6-9(10)3;;;/h16-18H,1-15H2;3-8H,1-2H3;2*1H;/q;;;;+2/p-2
• Isómeros SMILES: CC(C)OC1=CC=CC=C1C=[Ru](Cl)Cl.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• WGK Alemania: 3
• Número ONU: 1325
• Grupo de embalaje: II
• Peso molecular: 600.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Organic phosphines and derivatives Organic transition metal salts Organotransition metal compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Phosphine - Organic metal salt - Organic transition metal salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organometallic compound - Organic transition metal moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

• Sensibilidad: Light & Air sensitive
• Punto de fusión (°C): 195-197°C
• Peso molecular: 600.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 600.163 Da
• Monoisotopic Mass: 600.163 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 404.000
• 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: 2

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