[(η6-p-MeC6H4CHMe2)RuCl2(Cy2PCH=CH2)] | 678977-84-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(η6-p-MeC6H4CHMe2)RuCl2(Cy2PCH=CH2)]
• 英文别名: dichlororuthenium;dicyclohexyl(ethenyl)phosphane;1-methyl-4-propan-2-ylbenzene
• CAS: 678977-84-9
• 化学式: C₂₄H₃₉Cl₂PRu
• 分子量: 530.523
• InChiKey: GJJLRXZBQITHKF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.77
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 dicyclohexyl(vinyl)phosphine 以 二氯甲烷 为溶剂， 以63%的产率得到[(η6-p-MeC6H4CHMe2)RuCl2(Cy2PCH=CH2)]
  参考文献：
  名称：

  (η⁶‐Arene)ruthenium(II) Complexes with Hemilabile η³‐Dicyclohexylvinylphosphine (DCVP) and η³‐Diphenylvinylphosphine (DPVP) Phosphaallyl Ligands: Formation of an Unexpected Trinuclear Complex

  摘要：

  The complexes [(eta(6)-arene)RuCl2(Cy2PCH=CH2)], [arene=MeC6H5, (1a); p-MeC6H4Me; (2a); p-MeC6H4CHMe2 (3a); 1,2,4,5-Me4C6H2, (4a); and C6Me6, (5a)], have been synthesized by reacting [(eta(6)-arene)RuCl2](2) with dicyclohexylvinylphosphine (DCVP). In the presence of AgPF6, in a 1: 1 dichloromethane/acetone solvent mixture the compound [(eta(6)-C6Me6)RuCl2(Cy2PCH=CH2)] (5a) afforded [(eta(6)-C6Me6)RuCl(eta(3)-DCVP)]PF6 (1b). A similar reaction was conducted with [(eta(6)-C6Me6)RuCl2(Ph2PCH=CH2)] in an attempt to form [(eta(6)-C6Me6)RuCl(eta(3)-DPVP)]PF6 (2b). However, this reaction yielded, instead, the unexpected trinuclear heterobimetallic complex [{(eta(6)-C-6-Me-6)Ru(mu-Cl)(2)(Ph2PCH=CH2)}(2)Ag](PF6) (3b) the structure of which was determined by X-ray crystallography. Compound (1b) reacts with phenylisocyanide to form [(eta(6)-C6Me6)RuCl(eta(1)-DCVP)(CNPh)]PF6. The complexes have been characterized by H-1, P-31{H-1} and C-13(H-1) NMR spectroscopy, elemental analyses, cyclic voltammetry, and in some cases [compounds (4a), (1b) and (3b)] by X-ray crystallography.

  DOI：

  10.1081/sim-120024313