5,14-dioxa-2,7-dithia[6](1,2)benzeno[6](2,6)pyridinophane | 693286-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 5,14-dioxa-2,7-dithia[6](1,2)benzeno[6](2,6)pyridinophane
• 英文别名: [17]aneNO2S2；6,15-Dioxa-3,18-dithia-24-azatricyclo[18.3.1.08,13]tetracosa-1(24),8,10,12,20,22-hexaene
• CAS: 693286-86-1
• 化学式: C₁₉H₂₃NO₂S₂
• 分子量: 361.529
• InChiKey: WILMCKJWTYQATN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 copper(II) choride dihydrate 、 5,14-dioxa-2,7-dithia[6](1,2)benzeno[6](2,6)pyridinophane 以 甲醇 、 二氯甲烷 为溶剂， 以63.2%的产率得到[Cu(5,14-dioxa-2,7-dithia[6](1,2)benzeno[6](2,6)pyridinophane)Cl][PF6]
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of Cu(II) and Pd(II) complexes of the pentadentate mixed donor macrocycle, [17]aneNO2S2

  摘要：

  An aza-oxa-thia macrocycle, 5,14-dioxa-2,17-dithia[6](1.2)benzeno[6](2,6)pyridinophane, L1, the related smaller macrocycle 2,14-dithia-11-oxa-[3](1,2)benzeno[6](2,6)pyridinophane, L2. and the complexes with Pd(II) and Cu(II) of the macrocycle. L1, have been synthesized. The crystal structure of L2 and those of the two metal complexes have been determined. In the complexes, the metal ions adopt exclusively square planar geometry in which the pyridine nitrogen, two Sulfurs and one chlorine atom are coordinated and there is no appreciable interaction with the oxygen donors. Thus, the 'hard-soft acid-base' principle is illustrated by the behaviour of L1. The structures of both complexes are compared with the previously reported mixed aza-thia macrocycle, 2.5,14.17-tetrathia[6](1,2)benzeno[6](2,6)pyridinophane. The crystal structure of the smaller macrocycle, L2, is also discussed and due to the nature of its smaller cavity, attempts to make complexes with it have not been Successful. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.11.004