1,4,7-tris(β-diphenylphosphinylethyl)-1,4,7-triazacyclononane | 143255-09-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4,7-tris(β-diphenylphosphinylethyl)-1,4,7-triazacyclononane
• 英文别名: 1,4,7-tris-(2-diphenylphosphinylethyl)-1,4,7-triazacyclononane；1,4,7-Tris[2-(diphenylphosphoryl)ethyl]-1,4,7-triazonane；1,4,7-tris(2-diphenylphosphorylethyl)-1,4,7-triazonane
• CAS: 143255-09-8
• 化学式: C₄₈H₅₄N₃O₃P₃
• 分子量: 813.896
• InChiKey: POIAEXJJASEQDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  57
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4,7-tris(β-diphenylphosphinylethyl)-1,4,7-triazacyclononane 、 copper dichloride 以 氯仿 为溶剂， 生成 1,4,7-tris(β-diphenylphosphinylethyl)1,4,7-triazacyclononane copper dichloride
  参考文献：
  名称：

  Complex formation of 1,4,7-tris(?-diphenylphosphinylethyl)-1,4,7-triazacyclononane with divalent copper salts

  摘要：

  An investigation of the monoligand complex of 1,4,7-tris(beta-diphenylphosphinylethyl)-1,4,7-triazacyclononane with divalent copper has been carried out in various solvents using electronic, IR, and ESR spectroscopy. It was found that the five-coordination polyhedron formed in the complex involves only donor atoms of the ligand and has the structure of a tetragonally elongated square pyramid with two nitrogen atoms and two oxygen atoms at the base and a nitrogen atom at the apex. Compared with the copper(II) complex with the corresponding acid, 1,4,7-tris(beta-dihydroxyphosphinylethyl)-1,4,7-triazacyclononane, the coordination compound studied has a higher order of symmetry. The absence of observable distortions in the case of the acid is probably connected with steric interaction of the bulky phenyl substituents in the test ligand.

  DOI：

  10.1007/bf00863065
• 作为产物：
  描述：

  1,4,7-三氮杂环壬烷 、 (乙烯基-苯基磷酰)苯 以 苯 为溶剂， 反应 6.0h， 以47.6%的产率得到1,4,7-tris(β-diphenylphosphinylethyl)-1,4,7-triazacyclononane
  参考文献：
  名称：

  Complex formation of 1,4,7-tris(?-diphenylphosphinylethyl)-1,4,7-triazacyclononane with divalent copper salts

  摘要：

  An investigation of the monoligand complex of 1,4,7-tris(beta-diphenylphosphinylethyl)-1,4,7-triazacyclononane with divalent copper has been carried out in various solvents using electronic, IR, and ESR spectroscopy. It was found that the five-coordination polyhedron formed in the complex involves only donor atoms of the ligand and has the structure of a tetragonally elongated square pyramid with two nitrogen atoms and two oxygen atoms at the base and a nitrogen atom at the apex. Compared with the copper(II) complex with the corresponding acid, 1,4,7-tris(beta-dihydroxyphosphinylethyl)-1,4,7-triazacyclononane, the coordination compound studied has a higher order of symmetry. The absence of observable distortions in the case of the acid is probably connected with steric interaction of the bulky phenyl substituents in the test ligand.

  DOI：

  10.1007/bf00863065

文献信息

• Complex formation of 1,4,7-tris(?-diphenylphosphinylethyl)-1,4,7-triazacyclononane with divalent copper salts
  作者：D. V. Tolkachev、M. P. Pasechnik、I. B. Goryunova、B. K. Shcherbakov、N. N. Bubnov、E. I. Matrosov、M. I. Kabachnik

  DOI：10.1007/bf00863065

  日期：1992.3

  An investigation of the monoligand complex of 1,4,7-tris(beta-diphenylphosphinylethyl)-1,4,7-triazacyclononane with divalent copper has been carried out in various solvents using electronic, IR, and ESR spectroscopy. It was found that the five-coordination polyhedron formed in the complex involves only donor atoms of the ligand and has the structure of a tetragonally elongated square pyramid with two nitrogen atoms and two oxygen atoms at the base and a nitrogen atom at the apex. Compared with the copper(II) complex with the corresponding acid, 1,4,7-tris(beta-dihydroxyphosphinylethyl)-1,4,7-triazacyclononane, the coordination compound studied has a higher order of symmetry. The absence of observable distortions in the case of the acid is probably connected with steric interaction of the bulky phenyl substituents in the test ligand.