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CAS 1621274-13-2

:

(SP-4-3)-[2′-(Dicyclohexylphosphino-κP)-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium

Description:
The chemical substance with the name "(SP-4-3)-[2′-(Dicyclohexylphosphino-κP)-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium" and CAS number "1621274-13-2" is a palladium complex that features a chiral phosphine ligand, which is significant in catalysis, particularly in asymmetric synthesis. This compound is characterized by its coordination of palladium to a bidentate ligand system, which includes both a dicyclohexylphosphino group and a biphenyl moiety. The presence of methanesulfonate as a counterion enhances its solubility in polar solvents, making it suitable for various catalytic applications. The stereochemistry of the complex is crucial for its reactivity and selectivity in chemical reactions, particularly in cross-coupling reactions. Additionally, the presence of dimethyl and methylamino substituents on the biphenyl framework may influence the electronic properties and steric environment around the palladium center, affecting its catalytic performance. Overall, this compound exemplifies the intricate design of ligands in coordination chemistry aimed at optimizing catalytic processes.
Formula:C40H51N2O3PPdS
InChI:InChI=1S/C26H36NP.C13H12N.CH4O3S.Pd/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h9-12,17-22H,3-8,13-16H2,1-2H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;-1;;+2/p-1
InChI key:InChIKey=GEQRGYMICCBXGP-UHFFFAOYSA-M
SMILES:[P]([Pd+2]1([O-]S(C)(=O)=O)[C-]=2C(C=3C([NH]1C)=CC=CC3)=CC=CC2)(C4=C(C=CC=C4)C5=C(N(C)C)C=CC=C5)(C6CCCCC6)C7CCCCC7
Synonyms:
  • Palladium, [2′-(dicyclohexylphosphino-κP)-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]-, (SP-4-3)-
  • (SP-4-3)-[2′-(Dicyclohexylphosphino-κP)-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium
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