| 1408397-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1408397-42-1
• 化学式: C₁₇H₁₄ClNO₃
• 分子量: 315.756
• InChiKey: FKJBHWSJSLDVIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 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：
  0.18
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  仲丁胺 、 在 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 以67%的产率得到N-[4-(butan-2-ylcarbamoyl)phenyl]isochroman-1-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：

  Isochroman-1-carbonsaeurechlorid 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