Pd(crotyl)QPhosCl

Name: Pd(crotyl)QPhosCl
Brand: BOC Sciences
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Molecular Formula:

C52H54ClFePPd

Molecular Weight:

907.67

CAS Number:

1252598-33-6

Catalog Number:

BPM-251161

Product Information

Molecular Formula

C52H54ClFePPd

Molecular Weight

907.67

Description

Pd(crotyl)QPhosCl is a well-defined palladium(II) precatalyst featuring a pentaphenylferrocene-derived phosphine ligand and a crotyl (but-2-enyl) palladium(II) core with a chloride counterion. It is a highly effective precatalyst for classic cross-coupling reactions such as Suzuki-Miyaura, Buchwald-Hartwig amination, and C-N bond formation. The compound is bench-stable and soluble in most organic solvents. This precatalyst offers excellent functional group tolerance and high catalytic activity, making it a valuable tool in pharmaceutical synthesis and organic chemistry research.

Synonyms

Chloro(crotyl)[1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene]palladium(II); QPhos Pd(crotyl)Cl

IUPAC Name

but-1-ene;chloropalladium(1+);ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+);(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene

SMILES

C[CH-]C=C.CC(C)(C)P(C1=C[CH-]C=C1)C(C)(C)C.C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.Cl[Pd+].[Fe+2]

InChI

InChI=1S/C35H25.C13H22P.C4H7.ClH.Fe.Pd/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;1-3-4-2;;;/h1-25H;7-10H,1-6H3;3-4H,1H2,2H3;1H;;/q3*-1;;2*+2/p-1

InChI Key

ZDJQQIXNGDRDQM-UHFFFAOYSA-M

Purity

98%

Appearance

Light yellow powder

Storage

Store at 2-8 °C

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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Pd(crotyl)QPhosCl

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