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Cross-Coupling Reaction Catalyst
Chloro(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-( 2-aminoethyl)phenyl] palladium(II), min. 98% [t-BuXPhos Palladacycle]

Chloro(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-( 2-aminoethyl)phenyl] palladium(II), min. 98% [t-BuXPhos Palladacycle]

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Molecular Formula:

C37H55ClNPPd

Molecular Weight:

686.69

CAS Number:

1142811-12-8

Catalog Number:

1142811-12-8

Product Information

Molecular Formula:

C37H55ClNPPd

Molecular Weight:

686.69

Description

Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Catalyst for C-C bond and C-N bond formation.

Synonyms

chloropalladium(1+); ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane; 2-phenylethanamine; t-BuXPhosprecatalyst; t-BuXPhosPalladacycle; t-BuXPhospalladium(II)phenethylaminechloride

IUPAC Name

chloropalladium(1+)ditert-butyl-[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(C(C)(C)C)C(C)(C)C)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

InChI

InChI=1S/C29H45P.C8H10N.ClH.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;9-7-6-8-4-2-1-3-5-8;;/h13-21H,1-12H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1

InChI Key

GITFHTZGVMIBGS-UHFFFAOYSA-M

Melting Point

150-159 °C

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H315 - H319 - H335 - H351

Precautionary Statement

P201 - P302 + P352 - P305 + P351 + P338 - P308 + P313

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

685.27955 g/mol

Monoisotopic Mass

685.27955 g/mol

Topological Polar Surface Area

26Å²

Heavy Atom Count

Formal Charge

Complexity

658

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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Chloro(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-( 2-aminoethyl)phenyl] palladium(II), min. 98% [t-BuXPhos Palladacycle]

Product Information

Safety Information

Computed Properties

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