Palladium pivalate - ≥99.95% metals basis , CAS No.106224-36-6

CAS: 106224-36-6 Cat. No.: P294591 Molecular Weight: 308.67 EC Number: 687-340-9 PubChem CID: 24905427

GRADE & PURITY ≥99.95% metals basis

Synonyms

palladium(II) pivalate|106224-36-6|Palladium pivalate|Palladium dipivalate|2,2-dimethylpropanoate;palladium(2+)|Palladium pivalate 97per cent|palladium(II)pivalate|palladium(11) pivalate|C10H18O4Pd|SCHEMBL301033|DTXSID60648008|PAGZTSLSNQZYEV-UHFFFAOYSA-L|

Storage

Room temperature

Shipped In

Normal

Overview

Application

Catalyst for:

1.Aerobic cyclization of acrylic acid with alkenes

2.Benzylation of heterocycles with benzyl chlorides

3.ntramolecular direct arylation reactions

4.Regioselective oxidative arene cross-coupling

Product class

Homogeneous Catalysts, M-O

Reaction type

C-H Activation

Chemical properties

Chemical formula

C30H54O12Pd3

Empirical formula

[Pd(OOCtBu)2]3

Molecular weight

926.01

Metal

Pd

Theoretical metal content

35

Physical state

powder

Color

orange

Metal purity

99.95

Specifications

Synonyms

palladium(II) pivalate | 106224-36-6 | Palladium pivalate | Palladium dipivalate | 2, 2-dimethylpropanoate;palladium(2+) | Palladium pivalate 97per cent | palladium(II)pivalate | palladium(11) pivalate | C10H18O4Pd | SCHEMBL301033 | DTXSID60648008 | PAGZTSLSNQZYEV-UHFFFAOYSA-L |

Specifications & Purity

≥99.95% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.95% metals basis

Names and Identifiers

• Pubchem Sid: 329763862
• Canonical Smiles: CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Pd+2]
• IUPAC Name: 2,2-dimethylpropanoate;palladium(2+)
• InChIKey: PAGZTSLSNQZYEV-UHFFFAOYSA-L
• INCHI: 1S/2C5H10O2.Pd/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
• Isomeric SMILES: CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Pd+2]
• WGK Germany: 3
• PubChem CID: 24905427
• Molecular Weight: 308.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Organic transition metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Carboxylic acid salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 230-232°C
• Molecular Weight: 308.670 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 308.024 Da
• Monoisotopic Mass: 308.024 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 73.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3