(1,3-Bis(diphenylphosphino)propane)palladium(II) chloride - ≥99.95% metals basis , CAS No.59831-02-6

CAS: 59831-02-6 Cat. No.: B294514 Molecular Weight: 589.77 EC Number: 627-387-4 PubChem CID: 11017392

GRADE & PURITY ≥99.95% metals basis

Synonyms

59831-02-6|[1,3-Bis(diphenylphosphino)propane]palladium(II) Dichloride|Dichloro[1,3-bis(diphenylphosphino)propane]palladium(II)|(1,3-Bis(diphenylphosphino)propane)palladium(II) chloride|MFCD03844773|dichloro(1,3-bis(diphenylphosphino)propane)palladium(ii)

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product class

M-P, Homogeneous Catalysts, Bidentate Ligands, Phosphorus Ligands - Achiral

Chemical properties

Chemical formula

C27H26Cl2P2Pd

Empirical formula

[Pd(dppp)Cl2]

Molecular weight

589.78

Metal

Pd

Theoretical metal content

18

Physical state

powder

Color

white

Metal purity

99.95

Applications & references

Reductive carbonylation of aryl halides as an alternative and mild route for the introduction of aldehyde functionality, which is mostly desired for fine chemical and pharmaceutical intermediates to open up the wide range of further possible transformations.

Reference: Org. Proc. Res. Dev. 2007, 11, 39. (DOI: 10.1021/op060193w)

Specifications

Synonyms

59831-02-6 | [1, 3-Bis(diphenylphosphino)propane]palladium(II) Dichloride | Dichloro[1, 3-bis(diphenylphosphino)propane]palladium(II) | (1, 3-Bis(diphenylphosphino)propane)palladium(II) chloride | MFCD03844773 | dichloro(1, 3-bis(diphenylphosphino)propane)palladium(ii)

Specifications & Purity

≥99.95% metals basis

Legal Information

Product of Umicore

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99.95% metals basis

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
• IUPAC Name: dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane
• InChIKey: LDFBXJODFADZBN-UHFFFAOYSA-L
• INCHI: 1S/C27H26P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 11017392
• Molecular Weight: 589.77
• Reaxy-Rn: 14861087

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Organic metal halides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Phosphine - Organic metal halide - Organic transition metal salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Air sensitive
• Molecular Weight: 589.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 587.992 Da
• Monoisotopic Mass: 587.992 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 353.000
• 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