bis(adamantan-1-yl)(butyl)phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate | CAS No. 1651823-59-4

bis(adamantan-1-yl)(butyl)phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate

Basic Information

CAS Number

1651823-59-4

Molecular Formula

C37H51NO3PPdS

Molecular Weight

728.29 g/mol

AD

Basic Physical Properties

CCCCP(C1(CC2CC3CC(C2)C1)C3)C4(CC5CC6CC(C5)C4)C6.CS(=O)(=O)O[Pd]c1ccccc1c2ccccc2N

InChI

InChI=1S/C24H39P.C12H10N.CH4O3S.Pd/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-22H,2-16H2,1H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChIKey

REYVZCOGMIXVNX-UHFFFAOYSA-M

LogP

8.740800000000007

Topological Polar Surface Area

69.39 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

752

Synonyms & References

English

  • Methanesulfonato[(di(1-adamantyl)-n-butylphos-phine)-2-(2'-amino-1,1'-biphenyl)]palladium(II)

MDL Number

MFCD28144563

FAQ

What are the physical and chemical properties of bis(adamantan-1-yl)(butyl)phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1651823-59-4)?

The compound is a crystalline solid with a molecular weight of approximately 563.41 g/mol. It has moderate solubility in common organic solvents like dichloromethane and chloroform. Reactivity studies indicate it is selective under palladium-catalyzed coupling conditions. It is used in cross-coupling reactions with aryl halides and is highly effective with electron-rich substrates.

How is bis(adamantan-1-yl)(butyl)phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1651823-59-4) typically synthesized?

This compound is synthesized using a palladium-catalyzed coupling method. Commonly, a palladium complex is prepared from {2'-amino-[1,1'-biphenyl]-2-yl}palladium methanesulfonate and bis(adamantan-1-yl)(butyl)phosphane. The reaction is carried out in an inert atmosphere, with a yield of up to 90% under optimized conditions.

What industries use bis(adamantan-1-yl)(butyl)phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1651823-59-4)?

This compound is primarily used in the pharmaceutical and polymer industries for catalytic cross-coupling reactions. It is also applicable in sensor technology and semiconductor manufacturing for its unique reactivity and catalytic activity.

What precautions should be taken when handling bis(adamantan-1-yl)(butyl)phosphane, {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate (CAS: 1651823-59-4)?

Handle this compound in a fume hood to avoid inhalation of dust or aerosols. Wear appropriate personal protective equipment (PPE) including gloves, goggles, and lab coat. Store it in a cool, dry place away from direct sunlight. In case of spill, neutralize with an appropriate solvent and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling procedures.

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