DI-AD-BRETTPHOS-G3-PALLADACYCLE (C005B-018287)

Application

Buchwald 3rd Generation Pd Precatalyst adorned by the bulk di-adamntyl BrettPhos ligand. This complex has been used in the monoarylation of ammonia, displaying apptitude for otherwise difficult 5-member heterocyclic substrates.

Mild and Highly Selective Palladium-Catalyzed Monoarylation of Ammonia Enabled by the Use of Bulky Biarylphosphine Ligands and Palladacycle Precatalysts

Molecular Weight: 1010.65. Empirical Formula: C₅₆H₇₄NO₅PPdS. 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: 251-253 . °C. functional group: phosphine. SMILES string: COC1: CC: C(OC)C(C2: C(C(C)C)C: C(C(C)C)C: C2C(C)C): C1P([C@]34C[C@H]5C[C@H](C[C@H](C5)C4)C3)[C@@]6(C[C@H](C7)C8)CC7C[C@H]8C6.NC9: CC: CC: C9C%10: CC: CC: C%10[Pd]OS(C)(: O): O. InChI: 1S/C43H61O2P.C12H10N.CH4O3S.Pd/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43. 13-12-9-5-4-8-11(12)10-6-2-1-3-7-10. 1-5(2,3)4. /h9-10,17-18,25-33H,11-16,19-24H2,1-8H3. 1-6,8-9H,13H2. 1H3,(H,2,3,4). /q. . . +1/p-1. InChI key: OZFYYHNERORONM-UHFFFAOYSA-M. Storage Class Code: 11 - Combustible Solids. WGK: WGK 3. Flash Point(F): Not applicable. Flash Point(C): Not applicable.