tetrafluoroboranuide; tricyclohexyl[(dichlororutheniumylidene)methyl]phosphanium; tricyclohexylphosphane

• ChemBase ID: 142530
• Molecular Formular: C37H67BCl2F4P2Ru
• Molecular Mass: 832.6560148
• Monoisotopic Mass: 832.31677304
• SMILES: [B-](F)(F)(F)F.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)[P+](C=[Ru](Cl)Cl)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.F[B-](F)(F)F.Cl[Ru](=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl
• InChI: InChI=1S/C19H34P.C18H33P.BF4.2ClH.Ru/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5;;;/h1,17-19H,2-16H2;16-18H,1-15H2;;2*1H;/q+1;;-1;;;+2/p-2
• InChIKey: YFCZUTDHPBTFQL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tricyclohexyl[(dichlororutheniumylidene)methyl]phosphanium; tricyclohexylphosphane
• IUPAC Traditional name: tricyclohexyl[(dichlororutheniumylidene)methyl]phosphanium tricyclohexylphosphine tetrafluoroborate
• Synonyms: Dichloro(PCy3)[(tricyclohexylphosphoranyl)methylidene]Ru tetrafluoroborate; Piers first generation metathesis catalyst; Dichloro(tricyclohexylphosphine)[(tricyclohexylphosphoranyl)methylidene]ruthenium(II) tetrafluoroborate; Piers 第一代复分解反应催化剂; 二氯(三环己基膦)[(三环己基正膦基)亚甲基]四氟硼酸钌(II)

Database IDs

• CAS Number: 1020085-61-3
• MDL Number: MFCD15144782
• PubChem SID: 162236758
• PubChem CID: 71310754

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8135
• LogD (pH = 7.4): 6.8135
• Log P: 6.8135
• Molar Refractivity: 101.9521 cm^3
• Polarizability: 44.778683 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 203 °C (dec.)

Safety Information

• European Hazard Symbols: Flammable (F)
• German water hazard class: 1
• 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

• Purity: 95%
• Empirical Formula (Hill Notation): C37H67BCl2F4P2Ru

DETAILS

Sigma Aldrich - 707961

Other Notes
No bulk orders
Packaging
100, 500 mg in glass bottle
2 g in glass bottle
Legal Information
US Patent No. 7,365,140 (and associated foreign equivalents) owned by UTI Limited Partnership and licensed to Materia; Inc. apply. 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.
Application

• Cationic 4-coordinate catalyst is considered “pre-activated” because no ligand dissociation is required for formation of the active catalytic species.
• Has reactivity profile similar to the Grubbs 1st Generation Catalyst but is active at much lower temperatures (below 0 °C).1