bis(adamantan-1-yl)[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate | CAS No. 1445972-29-1

bis(adamantan-1-yl)[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate

Basic Information

CAS Number

1445972-29-1

Molecular Formula

C56H74NO5PPdS

Molecular Weight

1010.67 g/mol

AD

Basic Physical Properties

COc1ccc(OC)c(c1P(C2(CC3CC4CC(C3)C2)C4)C5(CC6CC7CC(C6)C5)C7)c8c(cc(cc8C(C)C)C(C)C)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1c2ccccc2N

InChI

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

InChIKey

OZFYYHNERORONM-UHFFFAOYSA-M

LogP

13.320599999999983

Topological Polar Surface Area

87.85 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1380

Synonyms & References

English

  • AdBrettPhos Pd G3
  • bis(adamantan-1-yl)3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-1,1'-biphenyl-2-ylphosphane, {2'-amino-1,1'-biphenyl-2-yl}palladio methanesulfonate

MDL Number

MFCD27952546

FAQ

What are the physical and chemical properties of bis(adamantan-1-yl)[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1445972-29-1)?

This compound is a phosphane derivative with a complex molecular structure. It has a crystalline form with a high molecular weight. The compound is poorly soluble in water but soluble in organic solvents. It exhibits good reactivity in organic transformations, particularly in organometallic reactions. Its physicochemical properties are influenced by its bulky substituents and functional groups.

How is bis(adamantan-1-yl)[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1445972-29-1) typically synthesized?

This compound is synthesized through a multistep process involving the preparation of the phosphane, its complexation with palladium, and the methanesulfonate esterification. The synthesis requires careful control of reaction conditions and the use of appropriate catalysts. The yield and selectivity can be optimized by adjusting the reaction parameters.

What industries use bis(adamantan-1-yl)[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1445972-29-1)?

This compound is used in the pharmaceutical industry for the synthesis of complex organic molecules and in the semiconductor industry for the preparation of metal complexes. It also finds applications in the development of sensors and as a catalyst in polymerization reactions.

What precautions should be taken when handling bis(adamantan-1-yl)[3,6-dimethoxy-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1445972-29-1)?

Handling this compound requires the use of appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a dry and well-ventilated area, away from direct sunlight. In case of spillage, it should be cleaned up using appropriate safety practices, and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.

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