Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (1:1)

Basic Information

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CAS Number

246047-72-3

Molecular Formula

C46H65Cl2N2PRu

Molecular Weight

848.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

143.5-148.5 °C

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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Cc1cc(c(c(c1)C)N2CCN(C2=[Ru](=Cc3ccccc3)(Cl)Cl)c4c(cc(cc4C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3

InChI

InChI=1S/C21H26N2.C18H33P.C7H6.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2

InChIKey

FCDPQMAOJARMTG-UHFFFAOYSA-L

LogP

13.729519999999972

Topological Polar Surface Area

6.48 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

927

Safety Information

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GHS Hazard Pictograms

H228

Hazard Statement

H228 Flammable solid
Flammable solids

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

Grubbs Catalyst 2nd Generation
1,3-Bis-(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)(dichlorophenylmethylene)(tricyclohexylphosphine)ruthenium, Benzylidene[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(tricyclohexylphosphine)ruthenium, (1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium
Benzylidene[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene] dichloro(tricyclohexyl-phosphine) ruthenium
Grubbs Catalyst, 2nd Generation,(1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium, 1,3-Bis-(2,4,6-trimethylphenyl)-2-(imidazolidinylidene
1,3-Bis-(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)(dichlorophenylmethylene)(tricyclohexylphosphine)ruthenium, Benzylidene[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(tricyclohexylphosphine)ruthenium
(1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene )dichloro(phenylmethylene)(tricyclohexylphosphine)rutheni um
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium,tricyclohexylphosphane
Tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene]rut
Grubbs 2
Grubb's 2nd generation catalyst
GRUBB'S SECOND GENERATION CATALYST
Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](benzylidene)(tricyclohexylphosphine)ruthenium(II)
Grubbs Catalyst® C848
1,3-Bis(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)(dichlorophenylmethylene)(tricyclohexylphosphine)ruthenium
(1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium
Grubbs Catalyst, 2nd Generation
Benzylidene[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(tricyclohexylphosphine)ruthenium
Grubbs Catalyst 2nd. generation
PubChem18279
C46H65Cl2N2PRu
Gru

MDL Number

MFCD03453237

FAQ

What is Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3)?

Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3) is a coordination compound containing ruthenium as the central metal atom. It features a benzylidene ligand, two chloride ions, and a 1,3-dimesityl-2-imidazolidinylidene ligand coordinated with tricyclohexylphosphine. This compound belongs to the class of organoruthenium complexes and is known for its stability and reactivity in catalytic applications.

What are the main uses of Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3)?

Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3) is primarily used as a catalyst in organic synthesis, particularly in reactions involving carbon-carbon bond formation. It finds applications in pharmaceutical research for drug development and in industrial processes for synthesizing complex organic molecules. Its unique structure also makes it valuable in studies related to transition metal chemistry and functional materials.

Is Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3) safe?

Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3) is generally considered safe when handled properly. However, as a chemical compound, it may pose risks if inhaled, ingested, or comes into contact with skin. Protective measures such as gloves, goggles, and a well-ventilated workspace are recommended. Safety data sheets should be consulted for specific handling and disposal guidelines.

How should Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3) be stored?

Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (CAS: 246047-72-3) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and air. Storage conditions should be controlled to prevent decomposition, typically at temperatures below 25°C and with humidity levels below 60%. Avoid exposure to strong oxidizing agents or incompatible substances.