Bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonate;palladium(2+);2-phenylaniline

Base Information

• Chemical Name: Bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonate;palladium(2+);2-phenylaniline
• CAS No.: 1445972-29-1
• Molecular Formula: C56H74NO5PPdS
• Molecular Weight: 1010.6
• European Community (EC) Number: 813-486-1
• Mol file: 1445972-29-1.mol

Synonyms:AdBrettPhos Pd G3;1445972-29-1;Methanesulfonato[2-(di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl](2'-amino-1,1'-biphenyl-2-yl)palladium(II), min. 98% [AdBrettPhos Palladacycle Gen. 3]

Chemical Property of Bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonate;palladium(2+);2-phenylaniline

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 1009.40601
• Heavy Atom Count: 65
• Complexity: 1280

Purity/Quality:

99%, ^*data from raw suppliers

Methanesulfonato[2-(di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl](2'-amino-1,1'-biphenyl-2-yl)palladium(II), min. 98% [AdBrettPhos Palladacycle Gen. 3] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C.CS(=O)(=O)[O-].C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd+2]
• Uses: 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