Dichloro(1,5-cyclooctadiene)palladium(II) - Pd 37.3% , CAS No.12107-56-1

CAS: 12107-56-1 Cat. No.: D107564 Molecular Weight: 285.51 Beilstein Registry Number: 5(4)404 EC Number: 235-161-8

GRADE & PURITY Pd 37.3%

Synonyms

[Pd(cod)Cl2] | SC10432 | Palladium, dichloro[(1,2,5,6-eta)-1,5-cyclooctadiene]- | SCHEMBL502942 | (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); dichloride | PdCl2(cod) | Dichloro(1,5-cyclooctadiene)palladium( cento) | Dichloro(1,5-cyclooctadiene)palladium(I

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Catalyst for C-C bond and C-N formation.

Product class

M-C, Homogeneous Catalysts, Diene/Dienyl Ligands

Reaction type

Cross Coupling Reactions with Arenes, Amination, Buchwald-Hartwig Aminaton, Carbonylation, Mizoroki Heck Coupling Reaction, Suzuki-Miyaura Coupling Reaction

Chemical properties

Chemical formula

C8H12Cl2Pd

Empirical formula

[Pd(cod)Cl2]

Molecular weight

285.51

Metal

Pd

Theoretical metal content

37

Physical state

crystalline

Color

off white

Specifications

Synonyms

[Pd(cod)Cl2] | SC10432 | Palladium, dichloro[(1, 2, 5, 6-eta)-1, 5-cyclooctadiene]- | SCHEMBL502942 | (1Z, 5Z)-cycloocta-1, 5-diene; palladium(2+); dichloride | PdCl2(cod) | Dichloro(1, 5-cyclooctadiene)palladium( cento) | Dichloro(1, 5-cyclooctadiene)palladium(I

Specifications & Purity

Pd 37.3%

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504763915
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763915
• Canonical Smiles: C1CC=CCCC=C1.Cl[Pd]Cl
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;dichloropalladium
• InChIKey: RRHPTXZOMDSKRS-PHFPKPIQSA-L
• INCHI: 1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-
• Isomeric SMILES: C1/C=C\CC/C=C\C1.Cl[Pd]Cl
• WGK Germany: 3
• Molecular Weight: 285.51
• Beilstein: 5(4)404
• Reaxy-Rn: 17464037

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic transition metal salt - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• 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

• Solubility: Soluble in dichloromethane,insoluble in water
• Sensitivity: Moisture sensitive
• Melt Point(°C): 210°C
• Molecular Weight: 285.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 283.935 Da
• Monoisotopic Mass: 283.935 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 75.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Cuicui Wu, Kaifei Tian, Xuan Guo, Yunming Fang.  (2023)  Integrating Fermentation Engineering and Organopalladium Chemocatalysis for the Production of Squalene from Biomass-Derived Carbohydrates as the Starting Material.  Catalysts,  13  (11): (1392).  [PMID:] [10.3390/catal13111392]