3-phenylmethoxy-4-[(E)-2-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)ethenyl]-1,2,5-thiadiazole | 732247-51-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-phenylmethoxy-4-[(E)-2-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)ethenyl]-1,2,5-thiadiazole
• CAS: 732247-51-7
• 化学式: C₂₀H₁₆N₄O₂S₂
• 分子量: 408.505
• InChiKey: YFXJTYUGCSIJRA-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-phenylmethoxy-4-[(E)-2-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)ethenyl]-1,2,5-thiadiazole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以80%的产率得到4-[(E)-2-(4-oxo-1,2,5-thiadiazol-3-yl)ethenyl]-1,2,5-thiadiazol-3-one
  参考文献：
  名称：

  The synthesis of symmetrical bis-1,2,5-thiadiazole ligands

  摘要：

  We have been engaged in a search for coordination catalysts for the copolymerization of polar monomers (such as vinyl chloride and vinyl acetate) with ethylene. We have been investigating complexes of late transition metals with heterocyclic ligands. In this report we describe the synthesis of a symmetrical bis-thiadiazole. We have characterized one of the intermediates using single crystal X-ray diffraction. Several unsuccessful approaches toward 1 are also described, which shed light on some of the unique chemistry of thiadiazoles. (C) 2004 lsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.045
• 作为产物：
  描述：

  (4-Benzyloxy-[1,2,5]thiadiazol-3-ylmethyl)-triphenyl-phosphonium; chloride 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到3-phenylmethoxy-4-[(E)-2-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)ethenyl]-1,2,5-thiadiazole
  参考文献：
  名称：

  The synthesis of symmetrical bis-1,2,5-thiadiazole ligands

  摘要：

  We have been engaged in a search for coordination catalysts for the copolymerization of polar monomers (such as vinyl chloride and vinyl acetate) with ethylene. We have been investigating complexes of late transition metals with heterocyclic ligands. In this report we describe the synthesis of a symmetrical bis-thiadiazole. We have characterized one of the intermediates using single crystal X-ray diffraction. Several unsuccessful approaches toward 1 are also described, which shed light on some of the unique chemistry of thiadiazoles. (C) 2004 lsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.045