Home
Products
Reagents for Polymerization
Polymerization Catalysts
Cross-Coupling Reaction Catalyst
Chloro(2-dicyclohexylphosphino-2,4,6-tri-i-propyl-1,1-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)methyl-t-butyletheradduct,min.98%

Chloro(2-dicyclohexylphosphino-2,4,6-tri-i-propyl-1,1-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)methyl-t-butyletheradduct,min.98%

Inquiry

Molecular Formula:

C41H59ClNPPd

Molecular Weight:

738.76

CAS Number:

1028206-56-5

Catalog Number:

1028206-56-5

Product Information

Molecular Formula:

C41H59ClNPPd

Molecular Weight:

738.76

Description

Application Guide for Palladium Catalyzed Cross-Coupling ReactionsCatalyst used for:• Amination / cyclization reactions• C-N bond-forming reactions via packed-bed microreactors• Boration of aryl chlorides• Arylation of oxazole• Cross-coupling reactions

Synonyms

(2-Dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II) chloride,(XPhos) palladium(II) phenethylamine chloride,Chloro(2-dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II),XPhos Palladacycle,XPhos precatalyst

IUPAC Name

chloropalladium(1+)dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane2-phenylethanamine

Canonical SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

InChI

InChI=1S/C33H49P.C8H10N.ClH.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-289-7-6-8-4-2-1-3-5-8/h13-14,19-25,27-28H,7-12,15-18H2,1-6H31-4H,6-7,9H21H/q-1+2/p-1

InChI Key

NMMPMZWIIQCZBA-UHFFFAOYSA-M

Melting Point

205-210 °C

Purity

95%

Safety Information

Hazards

H315 - H319 - H335 - H412

Precautionary Statement

P261 - P273 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

737.31085 g/mol

Monoisotopic Mass

737.31085 g/mol

Topological Polar Surface Area

26Å²

Heavy Atom Count

Formal Charge

Complexity

718

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

Chloro(2-dicyclohexylphosphino-2,4,6-tri-i-propyl-1,1-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)methyl-t-butyletheradduct,min.98%

Product Information

Safety Information

Computed Properties

Related Products