| 1408396-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1408396-53-1
• 化学式: C₁₆H₁₂ClNO₄
• 分子量: 317.729
• InChiKey: QPPUYXQCCNDLEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 在 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 以72%的产率得到N-{4-[3-(morpholin-4-yl)propylcarbamoyl]phenyl}-1,4-benzodioxane-2-carboxamide
  参考文献：
  名称：

  Synthesis of diamides from 1,4-benzodioxane-2- and isochroman-1-carboxylic acids

  摘要：

  1,4-Benzodioxane-2-carboxylic acid and isochroman-1-carboxylic acid were treated with thionyl chloride, and the resulting acid chlorides reacted with p-aminobenzoic acid in dioxane in the presence of pyridine to produce the corresponding amido acids. The latter were converted into acid chlorides which were brought into reaction with various amines to obtain a number of new diamides.

  DOI：

  10.1134/s1070428012070147
• 作为产物：
  描述：

  1,4-苯并二烷-2-羧酸 在 吡啶 、 氯化亚砜 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 10.0h， 生成
  参考文献：
  名称：

  Synthesis of diamides from 1,4-benzodioxane-2- and isochroman-1-carboxylic acids

  摘要：

  1,4-Benzodioxane-2-carboxylic acid and isochroman-1-carboxylic acid were treated with thionyl chloride, and the resulting acid chlorides reacted with p-aminobenzoic acid in dioxane in the presence of pyridine to produce the corresponding amido acids. The latter were converted into acid chlorides which were brought into reaction with various amines to obtain a number of new diamides.

  DOI：

  10.1134/s1070428012070147