Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) - ≥95% , CAS No.887919-35-9

CAS: 887919-35-9 Cat. No.: B129153 Molecular Weight: 708.07 EC Number: 627-800-8 PubChem CID: 11714597

GRADE & PURITY ≥95%

Synonyms

Umicore CX84 | FT-0696082 | bis-(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) | Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) | bis(di-tert-butyl(4-dimethylaminophenyl)-phosphine)dichloropalladium(II) | Pd(

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) is a highly active, air-stable catalyst for Suzuki-Miyaura cross-coupling with aryl halides including 5- and 6-membered heteroaryl chlorides.
A highly active, air-stable catalyst for Suzuki-Miyaura cross-coupling

Product class

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

Reaction type

Cross Coupling Reactions with Arenes, Suzuki-Miyaura Coupling Reaction

Chemical properties

Chemical formula

C32H56N2Cl2P2Pd

Empirical formula

[Pd(amphos)2Cl2]

Molecular weight

708.08

Metal

Pd

Theoretical metal content

15

Physical state

powder

Color

yellow

Applications & references

Synthesis of the pyrazolopyridinone-based p38 mitogen-activated protein kinase inhibitor including a Suzuki coupling reaction. p38 MAP kinases are intercellular serine/threonine kinases which certainly regulate the production and action of several pro-inflammatory mediators. They are also involved in disease states such as rheumatoid arthritis, Crohn’s diseases and psoriasis.

Reference: Org. Proc. Res. Dev. 2011, 15, 31. (DOI: 10.1021/op100205s)

Specifications

Synonyms

Umicore CX84 | FT-0696082 | bis-(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) | Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II) | bis(di-tert-butyl(4-dimethylaminophenyl)-phosphine)dichloropalladium(II) | Pd(

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.Cl[Pd]Cl
• IUPAC Name: 4-ditert-butylphosphanyl-N,N-dimethylaniline;dichloropalladium
• InChIKey: DWOZNANUEDYIOF-UHFFFAOYSA-L
• INCHI: 1S/2C16H28NP.2ClH.Pd/c2*1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;;;/h2*9-12H,1-8H3;2*1H;/q;;;;+2/p-2
• Isomeric SMILES: CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 11714597
• Molecular Weight: 708.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Phosphine - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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: Air Sensitive,Heat Sensitive
• Molecular Weight: 708.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 706.233 Da
• Monoisotopic Mass: 706.233 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 240.000
• 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: 3

XLogP3