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trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)

trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)

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Molecular Formula:

C46H46O4P2Pd2

Molecular Weight:

937.64

CAS Number:

172418-32-5

Catalog Number:

172418-32-5

Product Information

Molecular Formula:

C46H46O4P2Pd2

Molecular Weight:

937.64

Description

Application Guide for Palladium Catalyzed Cross-Coupling Reactions
trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) is a useful catalyst for C-C and C-N cross coupling reaction.

Synonyms

trans-Di(-acetato)bis[o-(di-o-tolyl-phosphino)benzyl]dipalladium(II), trans-Di--acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium, Herrmanns catalyst, Herrmanns palladacycle, Herrmann-Beller catalyst, Herrmann-Belle

IUPAC Name

acetic acid(2-methanidylphenyl)-bis(2-methylphenyl)phosphanepalladium

Canonical SMILES

CC(=O)O[Pd]Cc1ccccc1P(c2ccccc2C)c3ccccc3C.CC(=O)O[Pd]Cc4ccccc4P(c5ccccc5C)c6ccccc6C

InChI

InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)32*1-2(3)4/h2*4-15H,1H2,2-3H32*1H3,(H,3,4)/q2*-1

InChI Key

VWGJFGJEXBXEDJ-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

940.11016 g/mol

Monoisotopic Mass

938.10974 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

-2

Complexity

409

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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Concentration _(final)

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trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)

Product Information

Computed Properties

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