ChemicalBook--->CAS DataBase List--->12131-44-1

12131-44-1

12131-44-1 Structure

12131-44-1 Structure
IdentificationBack Directory
[Name]

Di-chlorobis[(1,2,3-)-1-phenyl-2-propenyl]dipalladium(II), 98%
[CAS]

12131-44-1
[Synonyms]

Cinnamylpalladium chloride dimer
BIS[CINNAMYL PALLADIUM(II) CHLORIDE]
PalladiuM(II)(π-cinnaMyl) Chloride DiMer
PalladiuM(pi-cinnaMyl) chloride diMer 97%
PalladiuM(II)(pi-cinnaMyl) Chloride DiMer
Di-μ-chlorobis[(1,2,3-η)-1-phenyl-2-propenyl]dipalladium(Ⅱ)
Di-μ-chlorobis[(1,2,3-η)-1-phenyl-2-propen-1-yl]dipalladium
Di-chlorobis[(1,2,3-)-1-phenyl-2-propenyl]dipalladium(II), 98%
Di-μ-chlorobis[(1,2,3-η)-1-phenyl-2-propenyl]dipalladiuM(II),98%
[EINECS(EC#)]

234-579-8
[Molecular Formula]

[(C9H9)ClPd]2
[MDL Number]

MFCD16621470
[MOL File]

12131-44-1.mol
[Molecular Weight]

512.03
Chemical PropertiesBack Directory
[Melting point ]

218-220°C
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

crystal
[color ]

yellow
[Sensitive ]

air sensitive
[InChI]

InChI=1S/2C9H6.2ClH.2Pd/c2*1-2-6-9-7-4-3-5-8-9;;;;/h2*1,3-5,7-8H;2*1H;;/q2*-1;;;2*+2/p-2
[InChIKey]

BCEGUOGHFLWSPJ-UHFFFAOYSA-L
[SMILES]

[Pd+2]123(C=C1[C-]2C1C=CC=CC=1)[Cl-][Pd+2]12(C=C1[C-]2C1C=CC=CC=1)[Cl-]3
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS05,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H331-H334
[Precautionary statements ]

P261-P280-P284-P304+P340+P312-P305+P351+P338+P310-P403+P233
[Hazard Codes ]

T
[Risk Statements ]

23-43
[Safety Statements ]

36/37-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HS Code ]

2843909000
[Storage Class]

11 - Combustible Solids
Questions And AnswerBack Directory
[Application]

Di-chlorobis[(1,2,3-)-1-phenyl-2-propenyl]dipalladium(ii) is an important organic regant for the use of transition-metal-mediated organic syntheses. It can be used as a catalyst for the ammonia cross-coupling reactions to synthesize arylamines and conversion of aryl triflates to fluorides.

[Reaction]

  1. Precursor for the preparation of a palladium catalyst used in the carbonylative arylation of ketones, yielding vinylbenzoate compounds.
  2. Precursor for the preparation of a palladium catalyst used in the Buchwald-Hartwig amination of (hetero)aryl chlorides.
  3. Precursor for the preparation of a palladium catalyst used in the arylative dearomatization of phenols.
  4. Versatile palladium precursor for the preparation of palladium catalysts used in the cross-coupling of aryl chlorides and amines , conversion of aryl triflates to aryl fluorides , and the α-arylation of aldehydes .
Reactions of 12131-44-1
Hazard InformationBack Directory
[Uses]

Palladium(π-cinnamyl) chloride dimer can be used as a catalyst for the:
  • Ammonia cross-coupling reactions to synthesize arylamines.
  • Conversion of aryl triflates to fluorides.

It can also be used as a source of palladium in the asymmetric α-arylation of amides.
[reaction suitability]

core: palladium
reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Cross Couplings
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: catalyst
[Synthesis]

A) In a double-necked flask equipped with magnetic stirring, 250 mL of distilled water was added and passed under argon gas for 30 min;

B) Continuing to keep under the flow of passed argon gas, PdCl2 (10 mmol,1.77 g,1 equiv) and KCl (20 mmol,1.42

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