λ2-ruthenium(2+) ion tris(triphenylphosphane) dichloride

• ChemBase编号: 126990
• 分子式: C54H45Cl2P3Ru
• 平均质量: 958.832383
• 单一同位素质量: 958.11546569
• SMILES: [Ru+2].[Cl-].[Cl-].c1c(P(c2ccccc2)c2ccccc2)cccc1.c1ccccc1P(c1ccccc1)c1ccccc1.c1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2
• InChIKey: WIWBLJMBLGWSIN-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: λ^2-ruthenium(2+) ion tris(triphenylphosphane) dichloride
• IUPAC传统名: λ^2-ruthenium(2+) ion tris(triphenylphosphine) dichloride
• 别名: 三(三苯基膦)二氯化钌(II); 三(三苯基膦)二氯化钌(II), Premion®; Ruthenium tris(triphenylphosphine) dichloride; Tris(triphenylphosphine)dichlororuthenium; Tris(triphenylphosphine)ruthenium dichloride;Tris(triphenylphosphine)ruthenium(II) dichloride; Dichlorotris(triphenylphosphine)ruthenium(II); Tris(triphenylphosphine)ruthenium(II) chloride; Dichlorotris(triphenylphosphine)ruthenium(II); Dichlorotris(triphenylphosphine)ruthenium(II), Premion®

登记号

• CAS号: 15529-49-4
• EC号: 239-569-7
• MDL号: MFCD00013077
• PubChem SID: 162221313
• PubChem CID: 84971
• Chemspider ID: 76650
• 维基百科标题: Dichlorotris(triphenylphosphine)ruthenium(II)

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• 摩尔折射率: 81.6229 cm^3
• 极化性: 32.34495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Very slightly soluble (with dissociation) in acetone, alcohol, chloroform, ethyl acetate, and toluene
• 外观: Black Crystals or Red-Brown; Crystalline powder
• 熔点: 132.85°C (406K); 132-134°C
• 密度: 1.43 g/cm₃

安全信息

• 保存注意事项: Air & Moisture Sensitive
• TSCA收录: 否

产品相关信息

• 纯度: 97%; 99.95% (metals basis), Ru 10.2% min

参考文献

• Versatile homogeneous isomerization, reduction and oxidation catalyst.
• Homoallylic alcohols can be isomerized to allylic: J. Am. Chem. Soc., 118, 12867 (1996); Tetrahedron, 54, 5129 (1998).
• In combination with ethylenediamine and KOH in 2-propanol, conventional hydrogenation of ketones can be accomplished: J. Am. Chem. Soc., 117, 2675 (1995); J. Org. Chem., 61, 4872 (1996). This combination is also effective for the selective reduction of aldehydes and ketones in the presence of alkenes, whereas only olefinic bonds can be reduced with the Ru complex alone: J. Am. Chem. Soc., 117, 10417 (1995):
  
• Catalyzes hydrogenation of aromatic nitro compounds to amines; selective reduction is possible in the presence of halogen, ester, nitrile and even additional nitro groups: Tetrahedron Lett., 2163 (1975). Aliphatic nitro compounds are hydrogenated to amines under high pressure: J. Org. Chem., 40, 519 (1975). Also catalyzes the high-yield reduction of nitroarenes to amines, indoles to indolines, quinolines to 1,2,3,4-tetrahydroquinolines by formic acid and triethylamine: Bull. Chem. Soc. Jpn., 57, 2440 (1984).
• Catalyzes the cyclization 2-aminophenethyl alcohols to indoles in high yield: J. Org. Chem., 55, 580 (1990):
  
• Catalyst for the reaction of N-alkylanilines with triethanolamine in dioxan (autoclave) to give the corresponding 1-alkylindoles in good yield: Synth. Commun., 26, 1349 (1996).
• In the presence of acetone, secondary alcohols can be oxidized to ketones: J. Chem. Soc., Chem. Commun., 337 (1992). For use in the dehydrogenation of amines to imines and the oxidation of cyanohydrins to acyl cyanides, see tert-Butyl hydroperoxide, A13926. In combination with hydroquinone, selective aerobic oxidation of a primary alcohol to an aldehyde, in the presence of a secondary alcohol, can be achieved: Tetrahedron Lett., 39, 5557 (1998).
• Alkylated arenes can be oxidized to ketones by tert-butyl hydroperoxide, catalyzed by the complex: J. Org. Chem., 65, 9186 (2000).
• In the presence of KOH, catalyzes the one-pot ɑ-alkylation of secondary alcohols with primary alcohols: Organometallics, 22, 3608 (2002).