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

Basic Information

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CAS Number

1445085-55-1

Molecular Formula

C46H62NO3PPdS

Molecular Weight

846.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

146-151 °C (decomposition)

SMILES

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CC(C)c1cc(C(C)C)c(c(c1)C(C)C)c2ccccc2P(C3CCCCC3)C4CCCCC4.CS(=O)(=O)O[Pd]c1ccccc1c2ccccc2N

InChI

InChI=1S/C33H49P.C12H10N.CH4O3S.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChIKey

NKKHABPORDUWIG-UHFFFAOYSA-M

LogP

12.03119999999999

Topological Polar Surface Area

69.39 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Safety Information

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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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

under inert gas (nitrogen or Argon) at 2-8°C

Synonyms & References

English

XPhos Palladacycle
Methanesulfonato(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)
Xphos Pd G3
(SP-4-3)-[2'-(Amino-κN)[1,1'-biphenyl]-2-yl-κC][dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato-κO)palladium
XPhos G3
(2-Dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate
XPhos-G3-Palladacycle
XPhos-Pd-G3
XPhos Pd G3
Methanesulfonato(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiuM(II), Min. 98% [XPhos Palladacycle]
Methanesulfonato(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiuM(II), Min. 98%
METHANESULFONATO(2-DICYCLOHEXYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)(2'-AMINO-1,1'-BIPHENYL-2-YL)PALLADIUM(II), MIN. 98
METHANESULFONATO(2-DICYCLOHEXYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)(2'-AMINO-1,1'-BIPHENYL-2-YL)PALLADIUM(II)DICHLOROMETHANEADDUCT(XPHOS Pd G3)

MDL Number

MFCD22666043

Customs Code

2843909000

FAQ

What is (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-2-biphenylyl)phosphine (CAS: 1445085-55-1)?

This compound is a complex organic chemical with a unique structure combining palladium and phosphine ligands. It has a CAS number of 1445085-55-1 and is used in catalytic reactions and synthetic chemistry.

What are the main uses of (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-2-biphenylyl)phosphine (CAS: 1445085-55-1)?

This compound is primarily used as a catalyst in organic synthesis, particularly in hydrogenation and cross-coupling reactions. It is also used in the preparation of various pharmaceuticals and fine chemicals.

Is (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-2-biphenylyl)phosphine (CAS: 1445085-55-1) safe?

While this compound is generally safe under normal handling conditions, it is important to follow all safety guidelines. Proper personal protective equipment (PPE) should be used, and it should be stored in a cool, dry place away from direct sunlight and heat sources.

How should (2'-Amino-2-biphenylyl)(methanesulfonato-kappaO)palladium - dicyclohexyl(2',4',6'-triisopropyl-2-biphenylyl)phosphine (CAS: 1445085-55-1) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. Keep it in a well-ventilated area and use a tightly sealed container to prevent moisture and light exposure. Store it at room temperature (15-25°C) and avoid extremes in temperature and humidity.