hexakis(triphenylphosphane) hexakis(λ1-copper)

• ChemBase ID: 129635
• Molecular Formular: C108H90Cu6P6
• Molecular Mass: 1954.988766
• Monoisotopic Mass: 1950.12440766
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu]
• InChI: InChI=1S/6C18H15P.6Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H
• InChIKey: KVBHFBAACGHMKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexakis(triphenylphosphane) hexakis(λ^1-copper)
• IUPAC Traditional name: hexakis(triphenylphosphine) hexakis(λ^1-copper)
• Synonyms: Stryker's reagent; Hydrido(triphenylphosphine)copper(I) hexamer; Triphenylphosphine-Copper(I) hydride Hexamer; Cuprous hydride triphenylphosphine hexamer; Stryker’s reagent; (Triphenylphosphine)copper hydride hexamer; Triphenylphosphine-copper(I) hydride Hexamer; Stryker 试剂; 三苯基磷酸亚酮六聚体; 三苯基膦-氢化铜六聚物; 三苯基膦-氢化铜六聚体(I)

Database IDs

• CAS Number: 33636-93-0
• MDL Number: MFCD00221518
• PubChem SID: 24862472; 162223924; 24889794
• PubChem CID: 11982471; 12181933
• Wikipedia Title: Stryker's_reagent

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Grade: purum
• Linear Formula: [(C6H5)3PCuH]6

DETAILS

Sigma Aldrich - 364975

Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Conjugate reduction of ortho-substituted cinnamic esters to form copper enolates1
• Chemoselective preparation of alcohols via hydrogenation of aldehydes2
• 1,2-addition/transmetalation reactions3
• Synthesis of monomer for preparation of phosphorus- and silicon-containing epoxy resins4
• Hydrosilylation reactions5
• Chiral hydrogenation reactions6
• Hydrostannation of activated alkynes7
Useful synthetic applications include stoichiometric and catalytic hydrogenations, chemoselective conjugate reductions, as well as regiospecific and stereoselectiveconjugate hydride reductions.

Sigma Aldrich - 93099

Other Notes
Reducing agent for the selective reduction of α,β-unsaturated carbonyls to the carbonyls8,9,10,11; Catalyst for reductions with hydrogen12
Application
Catalyst for:
• Conjugate reduction of ortho-substituted cinnamic esters to form copper enolates1
• Chemoselective preparation of alcohols via hydrogenation of aldehydes2
• 1,2-addition/transmetalation reactions3
• Synthesis of monomer for preparation of phosphorus- and silicon-containing epoxy resins4
• Hydrosilylation reactions5
• Chiral hydrogenation reactions6
• Hydrostannation of activated alkynes7