(2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine (1:1) | CAS No. 1470372-59-8

(2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine (1:1)

Basic Information

CAS Number

1470372-59-8

Molecular Formula

C48H66NO5PPdS

Molecular Weight

906.52 g/mol

AD

Basic Physical Properties

Melting Point

150-193 °C (decomposition)

COc1ccc(OC)c(c1P(C2CCCCC2)C3CCCCC3)c4c(cc(cc4C(C)C)C(C)C)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1c2ccccc2N

InChI

InChI=1S/C35H53O2P.C12H10N.CH4O3S.Pd/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h19-25,27-28H,9-18H2,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChIKey

PQYBJDCHLVJYSD-UHFFFAOYSA-M

LogP

12.048399999999988

Topological Polar Surface Area

87.85 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1090

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Methanesulfonato(2-dicyclohexylphosphino-3,6-diMethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiuM(II)
  • Methanesulfonato(2-dicyclohexylphosphino-3,6-diMethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiu
  • BrettPhos Palladacycle 3rd Generation
  • BrettPhos Pd G3
  • Methanesulfonato(2-dicyclohexylphosphino-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino
  • [(2-Di-cyclohexylphosphino-3,6-dimethoxy-2′,4′,6′- triisopropyl-1,1′-biphenyl)-2-(2′-amino-1,1′ -biphenyl)]palladium(II) methanesulfonate methanesulfonate
  • BrettPhos Pd G3, 95%
  • SY073041
  • Methanesulfonato(2-dicyclohexylphosphino-3,6-dimethoxy-2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -tri-i-propyl-1,1 inverted exclamation mark -biphenyl)(2 inverted exclamation mark -amino-1,1 inverted exclamation mark -biphenyl-2-yl)palladium(II)
  • Dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;pa

MDL Number

MFCD22572666

FAQ

What are the physical and chemical properties of (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine (CAS: 1470372-59-8)?

This compound exists as a crystalline solid at room temperature. It has a molecular weight of approximately 1000 g/mol. It is sparingly soluble in organic solvents like dichloromethane and acetonitrile. Chemically, it is a potent ligand in palladium catalysis, exhibiting high reactivity in cross-coupling reactions. It is highly selective and provides excellent yields in desired products.

How is (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine (CAS: 1470372-59-8) typically synthesized?

This compound is synthesized via a multi-step process involving the coupling of a palladium complex with a phosphine ligand. Commonly, the synthesis involves the use of palladium(II) acetate and a phosphine ligand under controlled conditions. The reaction is typically carried out in the presence of a base and a suitable solvent to achieve high selectivity and yield.

What industries use (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine (CAS: 1470372-59-8)?

This compound is primarily used in the pharmaceutical and chemical industries for its role as a ligand in palladium-catalyzed cross-coupling reactions. It is also utilized in polymer synthesis and sensor development, where its unique reactivity and selectivity are advantageous.

What precautions should be taken when handling (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine (CAS: 1470372-59-8)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE) including gloves and safety goggles. Store it in a fume hood to minimize inhalation exposure. In case of a spill, immediately clean up with appropriate absorbent materials and follow safety protocol. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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