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CAS 1445085-97-1

:

[2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO)palladium

Description:
The chemical substance with the name "[2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO)palladium" and CAS number "1445085-97-1" is a palladium complex that features a palladium center coordinated to various ligands, including an amino-substituted biphenyl and a phosphine ligand derived from a xanthene structure. This compound is characterized by its potential use in catalysis, particularly in cross-coupling reactions, due to the presence of the palladium metal, which is known for its ability to facilitate various organic transformations. The presence of the diphenylphosphine ligands enhances the electronic properties of the palladium center, making it more reactive. Additionally, the methanesulfonate group may contribute to the solubility and stability of the complex in different solvents. Overall, this compound exemplifies the intricate design of metal-organic complexes for applications in synthetic chemistry and catalysis.
Formula:C52H45NO4P2PdS
InChI:InChI=1S/C39H32OP2.C12H10N.CH4O3S.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h3-28H,1-2H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;+2/p-1
InChI key:InChIKey=OIQIZOZMASPGRN-UHFFFAOYSA-M
SMILES:[P]([Pd+2]1([O-]S(C)(=O)=O)[C-]=2C(C=3C([NH2]1)=CC=CC3)=CC=CC2)(C4=C5C(C(C)(C)C=6C(O5)=C(P(C7=CC=CC=C7)C8=CC=CC=C8)C=CC6)=CC=C4)(C9=CC=CC=C9)C%10=CC=CC=C%10
Synonyms:
  • Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO)-
  • Xantphos Pd G3
  • [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO)palladium
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