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CAS 944451-30-3

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[1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium

Description:
The chemical substance with the name "[1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium" and CAS number "944451-30-3" is a complex organometallic compound featuring a ruthenium center coordinated with various ligands. The structure includes a bidentate phosphine ligand, which enhances its stability and reactivity. The presence of dichloro groups indicates that it can participate in substitution reactions, making it useful in catalysis. The compound's unique architecture, characterized by the bi-1,3-benzodioxole moiety and the bulky dimethylphenyl groups, suggests potential applications in organic synthesis and catalysis, particularly in reactions involving olefins or other unsaturated substrates. Its chirality, indicated by the (4R) configuration, may also impart specific stereochemical properties that could be advantageous in asymmetric synthesis. Overall, this compound exemplifies the intricate design of organometallic complexes for targeted chemical transformations.
Formula:C56H58ClO4P2Ru
InChI:InChI=1S/C46H44O4P2.C10H14.2ClH.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;1-8(2)10-6-4-9(3)5-7-10;;;/h9-24H,25-26H2,1-8H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChI key:InChIKey=LLNJPFQWQJQPEH-UHFFFAOYSA-L
SMILES:[Cl-][Ru+2]123456([Cl-])(C=7(C(C)C)[CH]1=[CH]2C3(C)=[CH]4[CH]57)[P](C=8C(C=9C([P]6(C%10=CC(C)=CC(C)=C%10)C%11=CC(C)=CC(C)=C%11)=CC=C%12C9OCO%12)=C%13C(=CC8)OCO%13)(C%14=CC(C)=CC(C)=C%14)C%15=CC(C)=CC(C)=C%15
Synonyms:
  • Ruthenium, [1,1′-(4R)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]-
  • [1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium
  • (R)-RuCl[(p-cyMene)(DM-SEGPHOS)]Cl
  • [RuCl(p-cymene)((R)-dm-segphos[R])]Cl
  • [RuCl(p-cymene)((R)-dm-segphos(regR))]Cl
  • Chloro{(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole} (p-cymene)ruthenium(II)chloride[RuCl(p-cymene)((R)-dm-segphos)]Cl
  • Chloro{(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}(p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((R)-dm-segphos(R))]Cl
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