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667315

Sigma-Aldrich

Chloro(η2-P,C-tris(2,4-di-tert-butylphenyl)phosphite)(tricyclohexylphosphine)palladium(II)

Synonym(s):

SamCat, [2-[[Bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-KP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-KC]chloro(tricyclohexylphosphine)palladium

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About This Item

Empirical Formula (Hill Notation):
C60H95ClO3P2Pd
CAS Number:
502964-53-6
Molecular Weight:
1068.22
UNSPSC Code:
12161600
PubChem Substance ID:
24884903
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

176.7-187.1 °C

SMILES string

C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.CC(C)(C)c4ccc(OP(Oc5ccc(cc5C(C)(C)C)C(C)(C)C)Oc6c([Pd]Cl)cc(cc6C(C)(C)C)C(C)(C)C)c(c4)C(C)(C)C

InChI

1S/C42H62O3P.C18H33P.ClH.Pd/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h19-23,25-27H,1-18H3;16-18H,1-15H2;1H;/q;;;+1/p-1

InChI key

KSWCAUMOXBNXFL-UHFFFAOYSA-M

Application

Catalyst for coupling of alkyl bromides with aryl boronic acids

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
11328LH
14524ME

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Articles

Palladacycle Coupling Catalysts

Palladacyclic catalysts developed by Bedford’s group are examples of a select group of catalysts capable of affecting a variety of coupling reactions using difficult to activate aryl chlorides at very low catalyst loadings.

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