CyJohnPhos Pd G3

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Molecular Formula:

C37H44NO3PPdS

Molecular Weight:

720.21

CAS Number:

2230788-64-2

Catalog Number:

2230788-64-2

Product Information

Molecular Formula:

C37H44NO3PPdS

Molecular Weight:

720.21

Description

Third generation (G3) Buchwald palladium precatalyst for cross-coupling, demonstrating improved stability and reactivity from previous generations. This same product was formerly listed under RNI00192.

Synonyms

(2-Dicyclohexylphosphino-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate,CyJohnPhos G3

IUPAC Name

dicyclohexyl-(2-phenylphenyl)phosphanemethanesulfonatepalladium(2+)(2-phenylphenyl)azanide

Canonical SMILES

CS(=O)(=O)[O-].C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4.C1=CC=C([C-]=C1)C2=CC=CC=C2[NH-].[Pd+2]

InChI

InChI=1S/C24H31P.C12H9N.CH4O3S.Pd/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-2213-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H21-6,8-9,13H1H3,(H,2,3,4)/q-2+2/p-1

InChI Key

LBBWCIJHZWXQHW-UHFFFAOYSA-M

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

718.17361 g/mol

Monoisotopic Mass

718.17361 g/mol

Topological Polar Surface Area

66.6Å²

Heavy Atom Count

Formal Charge

-1

Complexity

700

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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CyJohnPhos Pd G3

Product Information

Computed Properties

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