ChemicalBook--->CAS DataBase List--->1158652-41-5

1158652-41-5

1158652-41-5 Structure

1158652-41-5 Structure
IdentificationBack Directory
[Name]

Pd-PEPPSI-IPent catalyst
[CAS]

1158652-41-5
[Synonyms]

Pd-PEPPSI-IPent
Pd-PEPPSI-IHeptCl 3-ClPy
[1,3-Bis(2,6-Di-3-pentyL
Pd-PEPPSI?-IPent catalyst
PD-PEPPSI(TM)-IPENT CATALYST
Pd-PEPPSI(TM)-IPent catalyst >=95%
[1,3-Bis(2,6-Di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)dichloropalladium(II)
Dichloro[1,3-bis(2,6-Di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II)
[1,3-Bis(2,6-Di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride
Pd-PEPPSI-IPent catalyst / Dichloro[1,3-bis(2,6-Di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II)
[Molecular Formula]

C40H56Cl3N3Pd
[MDL Number]

MFCD34166665
[MOL File]

1158652-41-5.mol
[Molecular Weight]

791.68
Questions And AnswerBack Directory
[Synthesis]

Potassium carbonate (0.205 mg, 0.631 mmol, 1.2 equivalents) and PdCl2 (110 mg, 0.631 mmol, 1.2 equivalents) were added to a mixed solution of azacarbene ligand hydrochloride (300 mg) and 3-chloropyridine (4.5 ml). The resulting reaction mixture was stirred at room temperature under argon protection, and then transferred to 90 °C for further stirring for 12 hours. After the reaction was complete, the reaction mixture was cooled to room temperature and then concentrated under reduced pressure to remove excess 3-chloropyridine. The residue was purified by silica gel column chromatography (silica gel method (100-200 mesh)) (ethyl acetate-petroleum ether; 50:50→60:40) to obtain dichloro[1,3-bis(2,6-di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II).

Synthetic method of Pd-PEPPSI-IPent catalyst

Figure 1 Synthetic method of Pd-PEPPSI-IPent catalyst

Chemical PropertiesBack Directory
[Melting point ]

195-201°C
[storage temp. ]

-20°C
[form ]

solid
[InChIKey]

RMLKULBPXAMLKU-UHFFFAOYSA-L
[SMILES]

[Pd+4](N1=CC=CC(Cl)=C1)(=[C-2]1N(C2C(=CC=CC=2C(CC)CC)C(CC)CC)C=CN1C1C(=CC=CC=1C(CC)CC)C(CC)CC)([Cl-])[Cl-]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[Safety Statements ]

36/37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

  • Catalyst for Stille coupling reaction (eq. 1)
  • Catalyst for Negishi coupling reaction (eq. 2)
  • Catalyst for Suzuki coupling reaction (eq. 3)
[Uses]

Pd-PEPPSI(TM)-IPent catalyst can be used in Stille coupling reaction , Negishi coupling reaction and Suzuki coupling reaction  TM -IPent used in cross coupling reaction.
[reaction suitability]

reagent type: catalyst
reaction type: Cross Couplings
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