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1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium (0) dimer

1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium (0) dimer

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Molecular Formula:

C62H60N4O4Pd2

Molecular Weight:

1138.00

CAS Number:

467220-49-1

Catalog Number:

467220-49-1

Product Information

Molecular Formula:

C62H60N4O4Pd2

Molecular Weight:

1138.00

Description

It can be used as a catalyst in the Kumada cross-coupling of aryl magnesium reagents with functionalized alkyl chlorides at room temperature to form substituted alkanes.

Synonyms

1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOL-2-YLIDENE (1,4-NAPHTHOQUINONE)PALLADIUM(0) DIMER; 1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOL-2-YLIDENE(1,4-NAPHTHOQUINONE)PALLADIUM(O) DIMER; BIS[1,3-DIHYDRO-1,3-(2,4,6-TRIMETHYLPHENYL)-2H-IMIDAZOL-2-YLIDENE]BIS[MU-[(2,3-

IUPAC Name

[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladiumnaphthalene-1,4-dione

Canonical SMILES

CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.C1=CC=C2C(=O)C=CC(=O)C2=C1.C1=CC=C2C(=O)C=CC(=O)C2=C1

InChI

InChI=1S/2C21H24N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)62*11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*7-12H,1-6H32*1-6H

InChI Key

ZTBFODSKEBBIJJ-UHFFFAOYSA-N

Melting Point

>300 °C

Flash Point

Not applicable

Safety Information

Hazards

H315 - H317 - H319 - H335

Precautionary Statement

P280 - P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

1138.26883 g/mol

Monoisotopic Mass

1136.26842 g/mol

Topological Polar Surface Area

81.2Å²

Heavy Atom Count

Formal Charge

Complexity

663

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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1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium (0) dimer

Product Information

Safety Information

Computed Properties

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