Bis(triphenylphosphinepalladium) acetate

CAS Number: 14588-08-0

Molecular Formula: C40H36O4P2Pd

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About Bis(triphenylphosphinepalladium) acetate

Bis(triphenylphosphine)palladium(II) diacetate (CAS 14588-08-0) is increasingly recognized as a vital transition metal catalyst in the API intermediates market, particularly for C-C and C-N cross-coupling reactions such as Suzuki and Heck couplings used to construct complex molecular frameworks in small molecule drug d...

Synonyms

14588-08-0
Bis(triphenylphosphinepalladium) acetate
bis(triphenylphosphine)palladium(ii) acetate
Bis(acetato)bis(triphenylphosphine)palladium(II)
Bis(triphenylphosphine)palladium(II) diacetate

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Bis(triphenylphosphinepalladium) acetate Specifications

CAS Number

14588-08-0

Molecular Formula

C40H36O4P2Pd

Molecular Weight

749.08 g/mol

IUPAC Name

palladium(2+);triphenylphosphane;diacetate

Canonical SMILES

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI Key

UVBXZOISXNZBLY-UHFFFAOYSA-L

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

EINECS Number

237-744-2

MDL Number

MFCD00010013

HSN No

28439019

CAS Number

14588-08-0

Molecular Formula

C40H36O4P2Pd

Molecular Weight

749.08 g/mol

IUPAC Name

palladium(2+);triphenylphosphane;diacetate

Canonical SMILES

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd+2]

InChI Key

UVBXZOISXNZBLY-UHFFFAOYSA-L

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

EINECS Number

237-744-2

MDL Number

MFCD00010013

HSN No

28439019

Molecular Weight

749.08 g/mol

Melting Point

136°C (dec.)

Boiling Point

360 °C at 760 mmHg

Flash Point

181.7 °C

Density

0.906±0.06 g/cm3

PSA

79.8 Å²

logP

6.9172

Average mass

749.08 g/mol

Monoisotopic mass

748.11236 Da

Molar mass

749.08 g/mol

Vapour pressure

4.74E-05 mmHg at 25°C

Precautionary Statement Codes

P261 and P305+P351+P338

Hazard Classes and Categories

Not Classified

Organic Synthesis Catalyst

Bis(triphenylphosphine)palladium(II) diacetate is a highly effective catalyst for carbon-carbon bond formation via Suzuki, Heck, Sonogashira, and Negishi cross-coupling reactions

Pharmaceutical Intermediate

The compound serves as a critical building block and reagent in the synthesis of complex active pharmaceutical ingredients (APIs) and bioactive molecules

Material Science

It is utilized in the development of advanced materials, including polymers and nanomaterials, to enhance properties such as conductivity and stability

Biochemical Research

This catalyst is employed in academic and industrial R&D for exploring innovative synthetic methodologies and investigating protein synthesis pathways.