bis(triphenylphosphane) (acetyloxy)palladio acetate

• ChemBase ID: 149970
• Molecular Formular: C40H36O4P2Pd
• Molecular Mass: 749.078962
• Monoisotopic Mass: 748.11236889
• SMILES: CC(=O)O[Pd]OC(=O)C.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.CC(=O)O[Pd]OC(=O)C
• InChI: InChI=1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2
• InChIKey: UVBXZOISXNZBLY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(triphenylphosphane) (acetyloxy)palladio acetate
• IUPAC Traditional name: bis(triphenylphosphine) (acetyloxy)palladio acetate
• Synonyms: Pd(OAc)2(PPh3)2; Bis(acetato)bis(triphenylphosphine)palladium(II); Palladium(II)bis(triphenylphosphine) diacetate; Bis(triphenylphosphine)palladium(II) diacetate; 二(三苯基膦)二乙酸钯(II); 二乙酰二(三苯基膦)钯(II); 三苯基膦醋酸钯

Database IDs

• CAS Number: 14588-08-0
• EC Number: 238-628-4
• MDL Number: MFCD00010013
• PubChem SID: 162244132; 24853498
• PubChem CID: 10865532

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: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 136 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0% (Pd); 98%
• Grade: purum
• Linear Formula: [(C6H5)3P]2Pd(CH3COO)2

DETAILS

Sigma Aldrich - 225452

Application
Catalyst for C-C bond formation via Sonogashira coupling, Negishi coupling, Heck coupling, and Suzuki coupling reaction.
Packaging
1, 10 g in glass bottle

Sigma Aldrich - 15254

Other Notes
Review1