dichloro({[2-(propan-2-yloxy)phenyl]methylidene})ruthenium; tricyclohexylphosphane

• ChemBase ID: 153057
• Molecular Formular: C28H45Cl2OPRu
• Molecular Mass: 600.606061
• Monoisotopic Mass: 600.16285705
• SMILES: CC(C)Oc1ccccc1C=[Ru](Cl)Cl.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.CC(Oc1ccccc1C=[Ru](Cl)Cl)C
• InChI: 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
• InChIKey: KMKCJXPECJFQPQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro({[2-(propan-2-yloxy)phenyl]methylidene})ruthenium; tricyclohexylphosphane
• IUPAC Traditional name: dichloro[(2-isopropoxyphenyl)methylidene]ruthenium; tricyclohexylphosphine
• Synonyms: Dichloro(o-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II); Hoveyda-Grubbs Catalyst 1st Generation; 二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌(II); 第 1 代 Hoveyda-Grubbs 催化剂

Database IDs

• CAS Number: 203714-71-0
• MDL Number: MFCD03453042
• PubChem SID: 162247197; 24880901
• PubChem CID: 10941020

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• Molar Refractivity: 89.9952 cm^3
• Polarizability: 34.44912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 195-197 °C(lit.)

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
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C28H45Cl2OPRu

DETAILS

Sigma Aldrich - 577944

Application
Metathesis: Ruthenium-Based Metathesis Catalysts
Hoveyda-Grubbs 1st Generation CatalystSimilar reactivity to the Grubbs 1st Generation Catalyst. Proven to be useful in Ring-Closing Metathesis (RCM) to form macrocycles.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.
Olefin metathesis catalyst.
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