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Chloro{(R)-(-)-5,5''-bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-4,4''-bi-1,3-benzodioxole}(p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((R)-dtbm-segphos®)]Cl , CAS No.944451-32-5
Catalysts & Chiral Catalysts
Basic Description
Synonyms | 944451-33-6|944451-32-5|Chloro{(S)-(+)-5,5'-bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole}(p-cymene)ruthenium(II) chloride|MFCD09753019|[4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol |
Specifications & Purity | ≥97% |
Legal Information | Manufactured under license of Takasago patent. Takasago SEGPHOS® Ru Catalyst Kit component |
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Names and Identifiers
IUPAC Name | [4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene |
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 | MYYXUILRYSITRR-UHFFFAOYSA-L |
Canonical SMILES | CC1=CC=C(C=C1)C(C)C.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C.Cl[Ru]Cl |
Isomeric SMILES | CC1=CC=C(C=C1)C(C)C.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C.Cl[Ru]Cl |
WGK Germany | 3 |
PubChem CID | 71310560 |
Molecular Weight | 1485.72 |
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Chemical and Physical Properties
Solubility | Insoluble in water |
Sensitivity | air sensitive |
Safety and Hazards(GHS)
WGK Germany | 3 |
RIDADR | NONHforallmodesoftransport |
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