XPhosPdG1 | CAS No. 1028206-56-5

XPhosPdG1

Basic Information

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CAS Number

1028206-56-5

Molecular Formula

C41H59ClNPPd

Molecular Weight

737.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

205-210 °C

SMILES

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CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

InChI

InChI=1S/C33H49P.C8H10N.ClH.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;9-7-6-8-4-2-1-3-5-8;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-4H,6-7,9H2;1H;/q;;;+1/p-1

InChIKey

HTAJCNQBAFZEJO-UHFFFAOYSA-M

Complexity

714

Safety Information

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Hazard Statement

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

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

[2-(2-aminoethyl)phenyl](chloro)palladium - Dicyclohexyl(2',4',6' -triisopropyl-2-biphenylyl)phosphine (1:1)
Palladium, [2-[2-(amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]-, (SP-4-4)-
XPhos Pd G1
8-(p-Phenylbenzyl)atropinium bromide
chloro(2-dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II)
Dendrepar
EINECS 208-129-6
Gastripon
Gastropin
N-(p-Biphenylmethyl)-atropinium bromide
xeny
Xenytropii bromidum [INN-Latin]
Xenytropinium
X-Phos biphenyl precatalyst
XPhos palladacycle
X-Phos pre-catalyst
XPhos Precatalyst
XPhos Pd
Chloro(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)
Chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl)]palladium(II)
(SP-4-4)-[2-[2-(Amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]palladium
Chloro(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl] palladium(II) methyl-t-butylether adduct
Chloro(2-dicyclohexylphosphino-2',4',6'-tri-i-prop
Dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);2-phenylethanamine;chlo
XPhos Palladacycle
XPhos precatalyst
[2-(2-AMinoethyl)phenyl](chloro)palladiuM-dicyclohexyl(2',4',6'-triisopropyl-2-biphenylyl)phosphine (1:1)
Chloro(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-(2-aMinoethyl)phenyl]palladiuM(II)Methyl-t-butyletheradduct,Min.98%
chloropalladium(1+);dicyclohexyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane;2-phenylethanamine
A856611
chloropalladium(1+);dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine

MDL Number

MFCD13194128

FAQ

What are the physical and chemical properties of XPhosPdG1 (CAS: 1028206-56-5)?

XPhosPdG1 (CAS: 1028206-56-5) is a heterobimetallic palladium phosphine ligand known for its high catalytic activity. It crystallizes in a trigonal-prismatic structure. The molecular weight is approximately 524.4 g/mol. XPhosPdG1 is moderately soluble in common organic solvents like toluene and chloroform. It exhibits high reactivity in cross-coupling reactions and is known for its excellent ligand efficiency and broad substrate scope.

How is XPhosPdG1 (CAS: 1028206-56-5) typically synthesized?

XPhosPdG1 (CAS: 1028206-56-5) is synthesized through a multistep process involving the reaction of a bulky phosphine with palladium(II) acetate and a base. The key steps include the formation of an intermediate phosphine complex and subsequent reduction of the palladium species. This process yields a highly selective and efficient catalyst for cross-coupling reactions, with typical yields ranging from 70% to 95%. Common solvents used include toluene and dichloromethane.

What industries use XPhosPdG1 (CAS: 1028206-56-5)?

XPhosPdG1 (CAS: 1028206-56-5) is widely used in the pharmaceutical, fine chemistry, and polymer industries. It serves as an excellent catalyst in C-C bond formation reactions, enabling the synthesis of complex organic molecules and polymers. Its high reactivity and selectivity make it a preferred choice for developing new drugs and materials with specific properties.

What precautions should be taken when handling XPhosPdG1 (CAS: 1028206-56-5)?

When handling XPhosPdG1 (CAS: 1028206-56-5), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.