[1,3-bis(2-methylphenyl)imidazolidin-2-yl]dichloro(phenylmethylidene)ruthenium; tricyclohexylphosphane

• ChemBase ID: 140391
• Molecular Formular: C42H58Cl2N2PRu
• Molecular Mass: 793.873081
• Monoisotopic Mass: 793.27581586
• SMILES: Cc1ccccc1N1CCN(C1[Ru](=Cc1ccccc1)(Cl)Cl)c1ccccc1C.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1ccccc1N1CCN(C1[Ru](=Cc1ccccc1)(Cl)Cl)c1ccccc1C
• InChI: InChI=1S/C18H33P.C17H19N2.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;3-10,13H,11-12H2,1-2H3;1-6H;2*1H;/q;;;;;+2/p-2
• InChIKey: MYBIVOYIHBQJIU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3-bis(2-methylphenyl)imidazolidin-2-yl]dichloro(phenylmethylidene)ruthenium; tricyclohexylphosphane
• IUPAC Traditional name: [1,3-bis(2-methylphenyl)imidazolidin-2-yl]dichloro(phenylmethylidene)ruthenium; tricyclohexylphosphine
• Synonyms: [1,3-Bis(2-methylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene) (tricyclohexylphosphine)ruthenium(II); Dichloro[1,3-Bis(2-methylphenyl)-2-imidazolidinylidene](benzylidene)(tricyclohexylphosphine)ruthenium(II); [1,3-双(2-甲基苯基)-2-咪唑烷亚基]二氯(苯基亚甲基)(三环己基膦)钌(II); 二氯[1,3-双(2-甲基苯基)-2-咪唑烷亚基](亚苄基)(三环己基膦)钌(II)

Database IDs

• CAS Number: 927429-60-5
• PubChem SID: 24885689; 162234635
• PubChem CID: 16218373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 10.0444
• LogD (pH = 7.4): 10.0444
• Log P: 10.0444
• Molar Refractivity: 124.5863 cm^3
• Polarizability: 50.483612 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 160.5-161.0 °C

Safety Information

• European Hazard Symbols: Flammable (F)
• German water hazard class: 3
• Risk Statements: 11
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C42H57Cl2N2PRu

DETAILS

Sigma Aldrich - 682284

Application
Metathesis: Ruthenium-Based Metathesis Catalysts

• Highly reactive in metathesis of sterically hindered olefins, particularly in Ring-Closing Metathesis (RCM).
• Useful for the preparation of tetrasubstituted olefins via RCM.1,2
• Enabling metathesis catalyst.1
Other Notes
NO BULK ORDERS
Packaging
100, 500 mg in glass bottle
2 g in glass bottle
Legal Information
Sale of this product conveys to the buyer a limited-use research license. For full details of this license please see sigma-aldrich.com/materialicense. For questions, please contact us at aldrich@sial.com or Materia at info@materia-inc.com.