Palladium(2+) acetate--triphenylphosphane (1/2/2)

HCID 84538

Notes Reactions

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Basic information

CAS: 14588-08-0
Standard SMILES: CC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIKey: UVBXZOISXNZBLY-UHFFFAOYSA-L
Molecular formula: C40H36O4P2Pd
Average molar mass: 749.092 g/mol
Monoisotopic mass: 748.11236889

Names & identifiers

Preferred name: Palladium(2+) acetate--triphenylphosphane (1/2/2)
IUPAC: Palladium(2+) acetate--triphenylphosphane (1/2/2)
English name: Bis(triphenylphosphinepalladium) acetate
Molecular formula: C40H36O4P2Pd
Molecular weight: 749.08

Names & synonyms

BIS(TRIPHENYLPHOSPHINE)PALLADIUM(II) DIACETATEBIS(TRIPHENYLPHOSPHINE)PALLADIUM(II) ACETATEadium(II) diacetateBis(triphenylphosphinepalladiuPalladium triphenylphosphine acetatediacetoxypalladium,triphenylphosphanePalladium, bis(acetato-O)bis(triphenylActatebis(triphenylphosphine) palladiumBis(triphenylphosphinepalladium) acetateBIS(ACETATO)TRIPHENYLPHOSPHINEPALLADIUM&

Database identifiers

CAS: 14588-08-0
PubChem CID: 84538
DTXSID: DTXSID00932711
EC Number: 238-628-4

Properties

Computed structural properties

Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 47
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 136 °C · 136 °C (dec.)(lit.)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: sol acetonitrile, benzene, dioxane, DMF, DMSO, THF; low sol petroleum ether.
form: Powder
color: Yellow
Stability: store cold
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: OZELLBKLLRMCRL-UHFFFAOYSA-M
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.P(C1C=CC=CC=1)(C1=CC=CC=C1)C1=CC=CC=C1.O(C(=O)C)[Pd]OC(=O)C
UNSPSC Code: 12352300 · 12352300
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 1 · 1-3-10
HS Code: 28439000 · 28439000
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

Safety data

F: 1-3-10
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 28439000
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

Usessuzuki reaction

UsesBis(triphenylphosphine)palladium(II) diacetate can be used as a catalyst for C-C bond formation via Sonogashira coupling, Negishi coupling, Heck coupling, and Suzuki coupling reaction.It can also be used as a catalyst to synthesize: Pyrido[1,2-a]benzimidazole derivatives by electro-oxidative intramolecular C-H/N-H annulation reaction. α, β-Unsaturated carboxylic acids by hydroxycarbonylation of vinyl triflates. Secondary imides by C-H functionalization of aldehydes with different N-substituted N-heteroarene-2-carboxamides.