Bis(tri-tert-butylphosphine)palladium(0) - Pd 20.8% , CAS No.53199-31-8

CAS: 53199-31-8 Cat. No.: B110179 Molecular Weight: 511.05 EC Number: 640-284-9

GRADE & PURITY Pd 20.8%

Synonyms

Fu catalyst | Pd(t-Bu3P)2 | BIS(TRI-T-BUTYLPHOSPHINE)PALLADIUM | Palladium, bis[tris(1,1-dimethylethyl)phosphine]- | PB42990 | palladium;tritert-butylphosphane | DTXSID80370359 | Bis[tris(tert-butyl)phosphine]palladium | STR08646 | MFCD03094580 | SC10403

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product class

M-P, Homogeneous Catalysts, M-C, Alkyl Ligands, Monodentate Ligands

Reaction type

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

Chemical properties

Chemical formula

C24H54P2Pd

Empirical formula

[Pd(P(tBu3))2]

Molecular weight

511.06

Metal

Pd

Theoretical metal content

21

Physical state

crystalline

Color

white

Applications & references

Diastereoselctive synthesis of isochromans using a Palladium catalyzed carboiodination.

Reference: Org. Lett. 2012, 14, 4806. (DOI: 10.1021/ol302111y)

High yielding Palladium catalyzed C-H arylation of electron-enriched heteroarenes with aryl halides.

Reference: J. Org. Chem. 2010, 75, 6998. (DOI: 10.1021/jo101433g)

Arylation of hydrosiloxanes for the synthesis of symmetrical and unsymmetrical siloxanes. They are interesting substrates for the usage as liquid crystals, starting materials for cross coupling reactions and biologically active compounds.

Reference: Chem. Comm. 2013, 49, 11275. (DOI: 10.1039/c3cc46294c)

Specifications

Synonyms

Fu catalyst | Pd(t-Bu3P)2 | BIS(TRI-T-BUTYLPHOSPHINE)PALLADIUM | Palladium, bis[tris(1, 1-dimethylethyl)phosphine]- | PB42990 | palladium;tritert-butylphosphane | DTXSID80370359 | Bis[tris(tert-butyl)phosphine]palladium | STR08646 | MFCD03094580 | SC10403

Specifications & Purity

Pd 20.8%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
• IUPAC Name: palladium;tritert-butylphosphane
• InChIKey: MXQOYLRVSVOCQT-UHFFFAOYSA-N
• INCHI: 1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3
• Isomeric SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
• WGK Germany: 3
• Molecular Weight: 511.05
• Reaxy-Rn: 14300595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14300595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organic phosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organic phosphines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphines and derivatives
• Alternative Parents: Organic transition metal salts Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phosphine - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphines and derivatives. These are organic compounds containing a phosphine derivative, with the general formula B1P(R2)R3 (R1-R3=alkyl, aryl).
• 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 toluene benzene, slight soluble in chloroform and acetone. Decomposes in water.
• Sensitivity: air & heat & light & moisture sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 511.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 510.274 Da
• Monoisotopic Mass: 510.274 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 128.000
• 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