768154

AdBrettPhos

95%

• Synonym(s): Di-Ad-BrettPhos
• Empirical Formula (Hill Notation): C₄₃H₆₁O₂P
• CAS Number: 1160861-59-5
• Molecular Weight: 640.92
• MDL number: MFCD23379935
• UNSPSC Code: 12352112
• PubChem Substance ID: 329767360
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 95%
• form: solid
• reaction suitability: 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: ligand
• mp: 231-235 °C
• functional group: phosphine
• SMILES string: COc1ccc(OC)c(c1P(C23CC4CC(CC(C4)C2)C3)C56CC7CC(CC(C7)C5)C6)-c8c(cc(cc8C(C)C)C(C)C)C(C)C
• InChI: 1S/C43H61O2P/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/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3
• InChI key: NMGHOZQCYNKWBG-UHFFFAOYSA-N

Description

General description

AdBrettPhos is a phosphine-based ligand used in the direct monoarylation of ammonia and suppresses diarylation. In addition, it is a good ligand for five-membered heteroarene couplings and is employed in the preparation of phosphine-ligated palladium complexes to facilitate C-N coupling reactions.

Application

AdBrettPhos can be used as an effective ligand for synthesizing [(L·Pd)_n ·(1,5-cyclooctadiene)] pre-catalyst that can be used for the Pd-catalyzed fluorination of aryl triflates.

AdBrettPhos has been used in the Palladium-Catalyzed C-O Cross-Coupling of Primary Alcohols.

Safety Information

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