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CAS 944451-33-6

:

[1,1′-(4S)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]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′-(4S)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium" and CAS number "944451-33-6" is a complex organometallic compound featuring ruthenium as the central metal atom. This compound is characterized by its intricate structure, which includes multiple functional groups such as phosphines and dioxoles, contributing to its potential reactivity and stability. The presence of bulky tert-butyl groups enhances steric hindrance, which can influence its catalytic properties. The dichloro ligands and the η6-benzene coordination suggest that it may exhibit interesting electronic properties and catalytic activity, particularly in organic transformations. Such compounds are often studied for their applications in catalysis, particularly in processes like olefin metathesis or hydrogenation. The specific stereochemistry indicated by the (4S) designation may also play a crucial role in determining the compound's reactivity and selectivity in chemical reactions.
Formula:C84H114Cl2O8P2Ru
InChI:InChI=1S/C74H100O8P2.C10H14.2ClH.Ru/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24;1-8(2)10-6-4-9(3)5-7-10;;;/h29-40H,41-42H2,1-28H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChI key:InChIKey=MYYXUILRYSITRR-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(C)(C)C)=C(OC)C(C(C)(C)C)=C%10)C%11=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%11)=CC=C%12C9OCO%12)=C%13C(=CC8)OCO%13)(C%14=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%14)C%15=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%15
Synonyms:
  • Ruthenium, [1,1′-(4S)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]-
  • [1,1′-(4S)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium
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