Dichloro[bis(diphenylphosphinophenyl)ether]palladium(II) - ≥95% , CAS No.205319-06-8

CAS: 205319-06-8 Cat. No.: D121334 Molecular Weight: 715.88 EC Number: 681-553-0 PubChem CID: 11377567

GRADE & PURITY ≥95%

Synonyms

[Oxydi(2,1-phenylene)]bis(diphenylphosphane)--dichloropalladium (1/1) | Bis(diphenylphosphinophenyl)ether palladium (II) dichloride | Dichloro[bis(diphenylphosphinophenyl)ether]palladium(II), Pd 14.8% | AKOS027320681 | DICHLORO[BIS(2-(DIPHENYLPHOSPHINO)PH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product class

M-P, Homogeneous Catalysts, Phosphorus Ligands - Achiral

Reaction type

Cross Coupling Reactions with Arenes, Carbonylation, Kumada Coupling Reaction, Mizoroki Heck Coupling Reaction, Sonogashira-Hagihara Coupling Reaction, Stille Reaction, Reduction

Chemical properties

Chemical formula

C36H28Cl2OP2Pd

Empirical formula

[Pd(DPEphos)Cl2]

Molecular weight

715.88

Metal

Pd

Theoretical metal content

15

Physical state

powder

Specifications

Synonyms

[Oxydi(2, 1-phenylene)]bis(diphenylphosphane)--dichloropalladium (1/1) | Bis(diphenylphosphinophenyl)ether palladium (II) dichloride | Dichloro[bis(diphenylphosphinophenyl)ether]palladium(II), Pd 14.8% | AKOS027320681 | DICHLORO[BIS(2-(DIPHENYLPHOSPHINO)PH

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6.Cl[Pd]Cl
• IUPAC Name: dichloropalladium;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
• InChIKey: VYOUBMJFTDMKRR-UHFFFAOYSA-L
• INCHI: 1S/C36H28OP2.2ClH.Pd/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;;;/h1-28H;2*1H;/q;;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 11377567
• Molecular Weight: 715.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Diphenylethers Diarylethers Phenoxy compounds Phenol ethers Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Phenylphosphine - Phosphine - Organic metal salt - Organic transition metal salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 243-250°C
• Molecular Weight: 715.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 714.003 Da
• Monoisotopic Mass: 714.003 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 597.000
• 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: 2

XLogP3