XantPhos-Pd-G2

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Molecular Formula:

C51H42ClNOP2Pd

Molecular Weight:

888.71

CAS Number:

1375325-77-1

Catalog Number:

1375325-77-1

Product Information

Molecular Formula:

C51H42ClNOP2Pd

Molecular Weight:

888.71

Description

XantPhos-Pd-G2 is a second generation palladium precatalyst with improved reactivity in palladium-catalyzed C-N cross-coupling reactions.

Synonyms

Chloro[(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)-2-(2'-amino-1,1'-biphenyl)]palladium(II)

IUPAC Name

chloropalladium(1+)(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane2-phenylaniline

Canonical SMILES

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]

InChI

InChI=1S/C39H32OP2.C12H10N.ClH.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-3213-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h3-28H,1-2H31-6,8-9H,13H21H/q-1+2/p-1

InChI Key

FAEFBQZYGQRYRN-UHFFFAOYSA-M

Melting Point

188-196 (decomposition)

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

887.14650 g/mol

Monoisotopic Mass

887.14650 g/mol

Topological Polar Surface Area

35.2Å²

Heavy Atom Count

Formal Charge

Complexity

1000

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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XantPhos-Pd-G2

Product Information

Computed Properties

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