[(η(5)-C5Me5)RuMe(μ-SPr(i))2Ru(η(5)-C5Me5)Me] | 167495-24-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: [(η(5)-C5Me5)RuMe(μ-SPr(i))2Ru(η(5)-C5Me5)Me]
• 英文别名: carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;propane-2-thiolate;ruthenium(3+)
• CAS: 167495-24-1
• 化学式: C₂₈H₅₀Ru₂S₂
• 分子量: 652.977
• InChiKey: RTAFRVJPIUADGD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.67
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [(η(5)-C5Me5)RuMe(μ-SPr(i))2Ru(η(5)-C5Me5)I] 、 甲基锂 以 四氢呋喃 为溶剂， 以34%的产率得到[(η(5)-C5Me5)RuMe(μ-SPr(i))2Ru(η(5)-C5Me5)Me]
  参考文献：
  名称：

  Syntheses and characterization of diruthenium(III) alkyl-alkyl and alkyl-alkynyl complexes with two bridging thiolate ligands . X-ray structure of [Cp∗Ru(CH2CH2Ph)(μ-SPri)2RuCp∗(CH2CH2Ph)]

  摘要：

  Reactions of diruthenium alkyl-halido complexes containing two bridging thiolate ligands [Cp*RuR(mu-SPri)(2)RuCp*X](1; Cp* = eta(5)-C(5)Me(5), R = PhCH(2)CH(2), X = Br, R = Me, X = I) with R'MgX(R' = PhCH(2)CH(2), X = Br; R' = PhCH(2), X = Cl) or R'Li(R'= Me, PhC = C) in THF at room temperature afforded novel diruthenium alkyl-alkyl and alkyl-alkynyl complexes [Cp*RuR(mu-SPri)(2)RuCp*R'] (2). In contrast, treatment of 1a (R = PhCH(2)CH(2), X = Br) with EtMgBr resulted in the formation of an alkyl-hydrido complex [Cp*Ru(CH(2)CH(2)Ph)(mu-SPri)(2)RuCp*H] as the only isolable product. X-ray analysis of 2a (R = R'= PhCH(2)CH(2)) has disclosed the structure as consisting of the two Cp*Ru(CH(2)CH(2)Ph) units connected by two mu-SPri ligands together with a Ru-Ru single bond, in which the two alkyl groups are oriented mutually cis. Crystal data for 2a: monoclinic, space group P2(1)/c(No. 14) with a = 19.449(3) Angstrom, b = 10.210(3) Angstrom, c = 20.254(2) Angstrom, beta = 94.684(9)degrees, V = 4008(2) Angstrom(3), Z = 4, and R(R(W)) = 0.054 (0.041) for 2635 reflections [I > 3 sigma(I)]. Treatment of 2a with two equivalents of I-2 in THF resulted in the formation of PhCH(2)CH(2)I and [Cp*RuI(mu-SPri)(2)RuCp*I] (7c) as the major products, while treatment with 1.2 equivalents of I-2 afforded a mixture of Ph(CH2)(4)Ph and PhCH(2)CH(2)I along with 7e and unidentified Ru species.

  DOI：

  10.1016/0022-328x(95)05477-7