773905

RockPhos Pd G3

• Synonym(s): RockPhos-G3-palladacycle, [(2-Di-tert-butylphosphino-3-methoxy-6-methyl-2′,4′,6′-triisopropyl-1,1′-biphenyl)-2-(2-aminobiphenyl)]palladium(II) methanesulfonate
• Empirical Formula (Hill Notation): C₄₄H₆₂NO₄PPdS
• CAS Number: 2009020-38-4
• Molecular Weight: 838.43
• MDL number: MFCD27952542
• UNSPSC Code: 12161600
• PubChem Substance ID: 329767644
• NACRES: NA.22

Properties

• form: solid
• Quality Level: 100
• feature: generation 3
• reaction suitability: core: palladium; reaction type: Buchwald-Hartwig Cross Coupling Reaction; 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; reaction type: Cross Couplings
• mp: 220-250 °C
• functional group: phosphine
• SMILES string: CC1=CC=C(OC)C(P(C(C)(C)C)C(C)(C)C)=C1C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C.NC3=CC=CC=C3C4=CC=CC=C4[Pd]OS(C)(=O)=O
• InChI: 1S/C31H49OP.C12H10N.CH4O3S.Pd/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h15-21H,1-14H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1
• InChI key: PANIJJUVUGSZSP-UHFFFAOYSA-M

Description

Application

Buchwald 3rd Generation Pd Precatalyst containing bulk RockPhos ligand. This system has been shown to be effective for cross-coupling reactions like the arylation of aliphatic alcohols.


Synthesis and Application of Palladium Precatalysts that Accommodate Extremely Bulky Di-tert-butylphosphino Biaryl Ligands

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable