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Safety Information

736635

Sigma-Aldrich

Bis(tricyclohexylphosphine)palladium(0)

Synonym(s):

Pd(PCy3)2

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About This Item

Empirical Formula (Hill Notation):
C36H66P2Pd
CAS Number:
Molecular Weight:
667.28
MDL number:
UNSPSC Code:
12352300
PubChem Substance ID:
NACRES:
NA.22

form

solid

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

mp

87-92 °C

storage temp.

2-8°C

SMILES string

[Pd].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C4CCC(CC4)P(C5CCCCC5)C6CCCCC6

InChI

1S/2C18H33P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*16-18H,1-15H2;

InChI key

JGBZTJWQMWZVNX-UHFFFAOYSA-N

Application

Bis(tricyclohexylphosphine)palladium(0) [Pd(PCy3)2] is a general palladium precatalyst that can be used to catalyze various reactions such as thioesterification of alkynes,[1] alumination of unactivated arenes,[2] direct arylation polycondensation[3] and intramolecular alkane arylation adjacent to amides and sulfonamides.[4]

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

736635-1G:
736635-250MG:
736635-VAR:
736635-BULK:


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Direct arylation polycondensation for synthesis of optoelectronic materials.
Kuwabara J.
Polymer Journal (2018)
Palladium-catalyzed thioesterification of alkynes with O-methyl S-phenyl thiocarbonate.
Hua R, et al.
Journal of the American Chemical Society, 123(12), 2899-2900 (2001)
Investigation of the mechanism of C (sp3)? H bond cleavage in Pd (0)-catalyzed intramolecular alkane arylation adjacent to amides and sulfonamides.
Rousseaux S, et al.
Journal of the American Chemical Society, 132(31), 10692-10705 (2010)
Room temperature catalytic carbon?hydrogen bond alumination of unactivated arenes: mechanism and selectivity.
Hooper T, et al.
Chemical Science, 9, 5435-5440 (2018)

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