[(η3-1-tert-Butylindenyl)(μ-Cl)Pd]2

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Molecular Formula:

C26H30Cl2Pd2

Molecular Weight:

626.26

CAS Number:

1779569-01-5

Catalog Number:

1779569-01-5

Product Information

Molecular Formula:

C26H30Cl2Pd2

Molecular Weight:

626.26

Description

The following palladium dimer is a precatalyst scaffold for cross-coupling reactions originally reported by the Hazari research group. When used with an selected ligand, the precatalyst exhibits superior activity over a wide array of cross-coupling reactions and under a variety of conditions.

Synonyms

(Pd tBu-Ind Cl)2,Hazari Pd catalyst dimer,Palladium(p-tert-butylindenyl) chloride dimer

IUPAC Name

1-tert-butyl-1,2-dihydroinden-2-idechloropalladium(1+)

Canonical SMILES

CC(C)(C)C1[C-]=CC2=CC=CC=C12.CC(C)(C)C1[C-]=CC2=CC=CC=C12.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C13H15.2ClH.2Pd/c2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h2*4-8,12H,1-3H32*1H/q2*-12*+2/p-2

InChI Key

QRXJPFMMPGIVGO-UHFFFAOYSA-L

Melting Point

166 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

625.97983 g/mol

Monoisotopic Mass

623.97942 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

217

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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[(η3-1-tert-Butylindenyl)(μ-Cl)Pd]2

Product Information

Computed Properties

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