N-XantPhos Pd G4

Inquiry

Molecular Formula:

C50H42N2O4P2PdS

Molecular Weight:

935.31

CAS Number:

1878105-23-7

Catalog Number:

1878105-23-7

Product Information

Molecular Formula:

C50H42N2O4P2PdS

Molecular Weight:

935.31

Description

N-XantPhos Pd G4 is a fourth generation (G4) Buchwald precatalyst that is similar to the third generation (G3) precatalysts except that the amino group on the biphenyl backbone is methylated. This modification helps to prevent the limitations found when using the third generation precatalysts. It is air, moisture, and thermally-stable and shows good solubility in common organic solvents.

Synonyms

N-XantPhos Pd G4, 95%; 4,6-BIS(DIPHENYLPHOSPHANYL)-10H-PHENOXAZINE; [2'-(METHYLAMINO)-[1,1'-BIPHENYL]-2-YL]PALLADIO METHANESULFONATE

IUPAC Name

(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphanemethanesulfonic acidN-methyl-2-phenylanilinepalladium

Canonical SMILES

CNC1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7.[Pd]

InChI

InChI=1S/C36H27NOP2.C13H12N.CH4O3S.Pd/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-301-14-13-10-6-5-9-12(13)11-7-3-2-4-8-111-5(2,3)4/h1-26,37H2-7,9-10,14H,1H31H3,(H,2,3,4)/q-1

InChI Key

OQQRQVVPJXWDCA-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

935.14536 g/mol

Monoisotopic Mass

935.14536 g/mol

Topological Polar Surface Area

96Å²

Heavy Atom Count

Formal Charge

-1

Complexity

1130

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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N-XantPhos Pd G4

Product Information

Computed Properties

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