667315

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
• Empirical Formula (Hill Notation): C₆₀H₉₅ClO₃P₂Pd
• CAS Number: 502964-53-6
• Molecular Weight: 1068.22
• UNSPSC Code: 12161600
• PubChem Substance ID: 24884903
• NACRES: NA.22

Properties

• form: solid
• Quality Level: 100
• 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

Description

Application

Catalyst for coupling of alkyl bromides with aryl boronic acids

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable