Neopentyl(tBu)2P Pd G4

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Molecular Formula:

C27H44NO3PPdS

Molecular Weight:

600.10

Product Information

Molecular Formula:

C27H44NO3PPdS

Molecular Weight:

600.10

Description

Neopentyl(tBu)2P Pd G4 is a powerful ligand for classic cross-coupling reactions combined with the Buchwald Fourth Generation Palladacycle. Bench stable, soluble in most organic solvents.

IUPAC Name

ditert-butyl(2,2-dimethylpropyl)phosphaniummethanesulfonic acidmethyl-(2-phenylphenyl)azanidepalladium(2+)

Canonical SMILES

CC(C)(C)C[PH+](C(C)(C)C)C(C)(C)C.C[N-]C1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd+2]

InChI

InChI=1S/C13H11N.C13H29P.CH4O3S.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-111-11(2,3)10-14(12(4,5)6)13(7,8)91-5(2,3)4/h2-7,9-10H,1H310H2,1-9H31H3,(H,2,3,4)/q-2+2/p+1

InChI Key

HBOFHMBBSXQYPW-UHFFFAOYSA-O

Flash Point

Not applicable

Purity

≥95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

600.18926 g/mol

Monoisotopic Mass

600.18926 g/mol

Topological Polar Surface Area

63.8Å²

Heavy Atom Count

Formal Charge

Complexity

750

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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Neopentyl(tBu)2P Pd G4

Product Information

Computed Properties

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