bis(tri-tert-butylphosphane) palladium

• ChemBase ID: 78239
• Molecular Formular: C24H54P2Pd
• Molecular Mass: 511.053082
• Monoisotopic Mass: 510.27356099
• SMILES: P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Pd]
• Canonical SMILES: CC(P(C(C)(C)C)C(C)(C)C)(C)C.CC(P(C(C)(C)C)C(C)(C)C)(C)C.[Pd]
• InChI: InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3
• InChIKey: MXQOYLRVSVOCQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tri-tert-butylphosphane) palladium
• IUPAC Traditional name: bis(tri-tert-butylphosphane) palladium
• Synonyms: Bis[tris(tert-butyl)phosphine]palladium(0), Pd 20.9%; Pd(t-Bu3P)2; Bis(tri-tert-butylphosphine)palladium(0); 双(三叔丁基膦)钯(0)

Database IDs

• CAS Number: 53199-31-8
• MDL Number: MFCD03094580
• PubChem SID: 24884857; 162043029
• PubChem CID: 2734558

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3845654
• LogD (pH = 7.4): 2.3847759
• Log P: 2.5937
• Molar Refractivity: 68.517 cm^3
• Polarizability: 25.590317 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder, packaged under inert atmosphere
• Melting Point: 258-272 °C; 258-272°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C; Light, Air & Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Storage Temperature: -20°C

Product Information

• Purity: Pd 20.9%
• Empirical Formula (Hill Notation): C24H54P2Pd

DETAILS

Sigma Aldrich - 676578

Packaging
1 g in glass bottle
250 mg in glass bottle
Application

• Catalyst for Suzuki coupling on a multisubstituted sp3-carbon1 (eq. 1)
• Catalyst for Stille coupling reaction of aryl chlorides2 (eq. 2)
• Catalyst for Negishi coupling reaction3 (eq. 3)
• Catalyst for Heck coupling to form tetrasubstituted olefins4 (eq. 4)
• Catalyst for Buchwald-Hartwig amination of aryl halide5 (eq. 5)
• Catalyst for carbonylation of aryl halides with carbamoylsilanes6 (eq. 6)