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CAS 944450-50-4

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(OC-6-22)-Bis(acetato-κO,κO′)[1,1′-(4S)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]ruthenium

Description:
The chemical substance known as "(OC-6-22)-Bis(acetato-κO,κO′)[1,1′-(4S)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]ruthenium" with CAS number 944450-50-4 is a complex organometallic compound featuring a ruthenium center coordinated with multiple ligands. Its structure includes bis(acetato) groups, which are acetate ligands that coordinate through oxygen atoms, and a bidentate phosphine ligand system that enhances its stability and reactivity. The presence of the bi-1,3-benzodioxole moiety contributes to its unique electronic properties, potentially influencing its catalytic behavior. This compound is of interest in various fields, including catalysis and materials science, due to its potential applications in organic synthesis and as a catalyst in chemical reactions. The specific stereochemistry indicated by the (4S) designation suggests that the compound may exhibit chiral properties, which can be significant in asymmetric synthesis. Overall, this ruthenium complex exemplifies the intricate design of organometallic compounds for targeted chemical applications.
Formula:C50H50O8P2Ru
InChI:InChI=1S/C46H44O4P2.2C2H4O2.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;2*1-2(3)4;/h9-24H,25-26H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChI key:InChIKey=ACKYBTAGKAINOG-UHFFFAOYSA-L
SMILES:CC=1[O-][Ru+2]23([P](C=4C(C=5C([P]2(C6=CC(C)=CC(C)=C6)C7=CC(C)=CC(C)=C7)=CC=C8C5OCO8)=C9C(=CC4)OCO9)(C%10=CC(C)=CC(C)=C%10)C%11=CC(C)=CC(C)=C%11)([O-]C(C)=O3)O1
Synonyms:
  • (OC-6-22)-Bis(acetato-κO,κO′)[1,1′-(4S)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]ruthenium
  • Ruthenium, bis(acetato-κO,κO′)[1,1′-(4S)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]-, (OC-6-22)-
  • Diacetato{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(S)-dm-segphos(R)]
  • Diacetato{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(S)-dm-segphos]
  • (S)-Ru(OAc)2(DM-SEGPHOS)
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