N-[4-(1,4-benzodioxan-2-ylmethylcarbamoyl)phenyl]-1,4-benzodioxane-2-carboxamide | 573946-06-2

• 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: N-[4-(1,4-benzodioxan-2-ylmethylcarbamoyl)phenyl]-1,4-benzodioxane-2-carboxamide
• 英文别名: N-{4-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)carbamoyl]phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide；N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• CAS: 573946-06-2
• 化学式: C₂₅H₂₂N₂O₆
• 分子量: 446.459
• InChiKey: KYXCNGNFHKLHNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  716.7±60.0 °C(Predicted)
• 密度：
  1.346±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 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 N-[4-(1,4-benzodioxan-2-ylmethylcarbamoyl)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

文献信息

• Synthesis of diamides from 1,4-benzodioxane-2- and isochroman-1-carboxylic acids
  作者：S. O. Vartanyan、A. B. Sargsyan、A. S. Avakyan、E. A. Markaryan、T. O. Asatryan

  DOI：10.1134/s1070428012070147

  日期：2012.7

  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.