N-allylmorpholinium hydrobromide | 6425-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-allylmorpholinium hydrobromide
• 英文别名: 4-Allylmorpholine hydrobromide；4-prop-2-enylmorpholine;hydrobromide
• CAS: 6425-23-6
• 化学式: BrH*C₇H₁₃NO
• 分子量: 208.098
• InChiKey: LIASSKZXWOSLNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.91
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  13.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 N-allylmorpholinium hydrobromide 以 乙醇 为溶剂， 生成 [N-allylmorpholinium][CuBr1.41Cl0.59]
  参考文献：
  名称：

  摘要：

  The compounds [C4H8ON(C3H5)(2)(+)[Cu4Cl5](-) (I), [C4H8ONH(C3H5)](+)[CuBr2](-) (II), and [C4H8ONH(C3H5)](+)[CuBr1.41]Cl-0.59](-) (III) were prepared for the first time by ac electrochemical synthesis from mono- and di-N-allyl derivatives of morpholinium and copper(I) halides in ethanol solution and structurally characterized. In the structure of I pi-complex, the centrosymmetric Cu8Cl10 fragments are associated into layers perpendicular to the b axis. The N,N'-diallylmorpholinium cation functions as a bridge, which coordinates two copper atom of the adjacent inorganic fragments by both allyl groups. The trigonal-pyramidal surrounding of the Cu(I) atom, as well as the distorted tetrahedral coordination sphere of Cu(2), involves three chlorine atoms and the C=C bond, whereas the planar trigonal surrounding of the Cu(3) atom and trigonal-pyramidal surrounding of the Cu(4) atom involve only chlorine atoms. In the isostructural II and III sigma-complexes, the edge-shared CuX4 tetrahedra form the infinite copper-halide chains running along the a axis. The inorganic fragments and organic N-allylmorpholinium cations are united into the three-dimensional crystal structures by N-H (...) X and C-H (...) X (X = Cl, Br) hydrogen bonds.

  DOI：

  10.1023/a:1024787231747