XPhos Pd G1

Base Information

• Chemical Name: XPhos Pd G1
• CAS No.: 1028206-56-5
• Molecular Formula: C41H59ClNPPd
• Molecular Weight: 738.76100
• Hs Code.: 2843909000
• Mol file: 1028206-56-5.mol

Synonyms: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'-triisopropyl-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II);Xenytropium bromide;Bromure de xenytropium [INN-French];Bromuro de xenitropio [INN-Spanish];Gastropin;Xenytropinium;Dendrepar;XPhos palladacycle;Xenytropii bromidum [INN-Latin];8-(p-Phenylbenzyl)atropinium bromide;Xenytropiumbromid;N-(p-Biphenylmethyl)-atropinium bromide;X-Phos biphenyl precatalyst;X-Phos pre-catalyst;Gastripon;

Chemical Property of XPhos Pd G1

Chemical Property:

• Melting Point: 205-210°C
• PSA: 39.61000
• LogP: 9.18870

Purity/Quality:

97% ^*data from raw suppliers

Chloro(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl] palladium(II) methyl-t-butylether adduct, min. 98% [XPhos Palladacycle Gen. 1] ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-52/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: XPhos Pd G1 is used as androgen receptor modulator for treatment of disorders including prostate cancer. Application Guide for Palladium Catalyzed Cross-Coupling ReactionsCatalyst used for:Amination / cyclization reactionsC-N bond-forming reactions via packed-bed microreactorsBoration of aryl chloridesArylation of oxazoleCross-coupling reactions

Technology Process of XPhos Pd G1

There total 2 articles about XPhos Pd G1 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

(N,N,N',N'-tetramethylethylenediamine)dimethylpalladium(II) + 2-(2-chlorophenyl)ethanamine (13078-80-3) + XPhos (564483-18-7) → chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct (1028206-56-5)

Guidance literature:

In further solvent(s); treatment of palladium compd. with chlorobenzene deriv. and phosphine deriv. in methyl tert-butyl ether at 55°C; recrystn.;

DOI:10.1021/ja801137k

Reference yield: 70.0%

2-(2-chlorophenyl)ethanamine (13078-80-3) + N,N,N',N'-tetramethylethylenediamine palladium(II) chloride (14267-08-4) + methyllithium (917-54-4) + XPhos (564483-18-7) → chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct (1028206-56-5)

Guidance literature:

In further solvent(s); treatment of palladium compd. with methyllithium in methyl tert-butyl ether at 0°C, treatment with chlorobenzene deriv. and phosphine deriv. in methyl tert-butyl ether at 55°C; recrystn.;

DOI:10.1021/ja801137k

Reference yield:

chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butyl ether adduct (1028206-56-5) → (Cy2PC6H4C6H2(iPr)3)Pd (936951-63-2,936951-62-1)

Guidance literature:

With NaOCH₂C(CH₃)3 or LiN(Si(CH₃)3)2; In 1,4-dioxane; treatment of palladium compd. with sodium tert-amilate in dioxane at room temp. or lithium amide deriv. in dioxane at -20°C or at room temp.; not isolated, NMR monitoring;

DOI:10.1021/ja801137k

upstream raw materials:

2-(2-chlorophenyl)ethanamine

N,N,N',N'-tetramethylethylenediamine palladium(II) chloride

methyllithium

XPhos

Downstream raw materials:

(Cy₂PC₆H₄C₆H₂(iPr)3)Pd