RuCl2(η(6)-hexamethylbenzene)(1-methyl-1,4,5,6-tetrahydropyrimidine) | 224032-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: RuCl2(η(6)-hexamethylbenzene)(1-methyl-1,4,5,6-tetrahydropyrimidine)
• 英文别名: dichlororuthenium;1,2,3,4,5,6-hexamethylbenzene;1-methyl-5,6-dihydro-4H-pyrimidine
• CAS: 224032-63-7
• 化学式: C₁₇H₂₈Cl₂N₂Ru
• 分子量: 432.399
• InChiKey: CKTOSYGLKNKZJN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.26
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 1-methyl-1,4,5,6-tetrahydropyrimidine 以 甲苯 为溶剂， 以86%的产率得到RuCl2(η(6)-hexamethylbenzene)(1-methyl-1,4,5,6-tetrahydropyrimidine)
  参考文献：
  名称：

  2-Imidazoline– and 1,4,5,6-tetrahydropyrimidine–ruthenium(II) complexes and catalytic synthesis of furan

  摘要：

  The complexes RuCl2(L-1)(arene) (3-4) (L1 = HC=NCH2CH2NR, R = Et, arene = p-MeC6H4CHMe2 or C6Me6) and RuCl2(L-2)(arene) (5-6) (L-2 = HC=NCH2CH2CH2NR, R = Me; Ph, CH2Ph, p-MeC6H4) have been synthesized by reaction of [RuCl2(arene)](2), with 1-alkyl-2-imidazoline (1) or 1-alkyl-1,4,5,6-tetrahydropyrimidine (2). In each of these complexes (3-6) the ligand is bound via the imine (N=C) nitrogen atom. The new complexes are capable of catalyzing the activation of (2)-3-methylpent-2-en-4-yn-1-ol into 2,3-dimethylfuran in very good yield, via intramolecular cyclization, and the 1,4,5,6-tetrahydropyrimidine complexes 5 and 6 appeared to be the best catalyst precursors. Cyclic voltammetry shows that the nature of the arene ligand, rather than that of the nitrogen containing ligand, controls the electron-richness of the complexes. (C) 1999 Elsevier Science Ss.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00992-9