MorDalPhos Pd G4

Inquiry

Molecular Formula:

C44H57N2O4PPdS

Molecular Weight:

847.39

CAS Number:

2230788-66-4

Catalog Number:

2230788-66-4

Product Information

Molecular Formula:

C44H57N2O4PPdS

Molecular Weight:

847.39

Description

A powerful ligand for classic cross-coupling reactions combined with the Buchwald Fourth Generation Palladacycle. Bench stable, soluble in most organic solvents.

IUPAC Name

bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphanemethanesulfonic acidN-methyl-2-phenylanilinepalladium

Canonical SMILES

CNC1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.C1COCCN1C2=CC=CC=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7.[Pd]

InChI

InChI=1S/C30H42NOP.C13H12N.CH4O3S.Pd/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-301-14-13-10-6-5-9-12(13)11-7-3-2-4-8-111-5(2,3)4/h1-4,21-26H,5-20H22-7,9-10,14H,1H31H3,(H,2,3,4)/q-1

InChI Key

VGVZQTYHQRVKCK-UHFFFAOYSA-N

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

847.28897 g/mol

Monoisotopic Mass

847.28897 g/mol

Topological Polar Surface Area

87.2Å²

Heavy Atom Count

Formal Charge

-1

Complexity

1100

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

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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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MorDalPhos Pd G4

Product Information

Computed Properties

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