N,N’-bis(3-hydroxypropyl)isophthalamide | 42089-95-2

• 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,N’-bis(3-hydroxypropyl)isophthalamide
• 英文别名: Isophthalsaeure-bis-(3-hydroxypropylamid)；N~1~,N~3~-Bis(3-hydroxypropyl)benzene-1,3-dicarboxamide；1-N,3-N-bis(3-hydroxypropyl)benzene-1,3-dicarboxamide
• CAS: 42089-95-2
• 化学式: C₁₄H₂₀N₂O₄
• 分子量: 280.324
• InChiKey: MKCKORDBPQHSTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯二甲酸二甲酯 、 3-氨基-1-丙醇 反应 2.5h， 以90%的产率得到N,N’-bis(3-hydroxypropyl)isophthalamide
  参考文献：
  名称：

  Formation of N,O-Acetals in the Production of X-ray Contrast Agents

  摘要：

  Acetylation of 1 with acetic anhydride, an important step in the preparation of iohexol, gave the corresponding acetanilide and minor amounts of a few byproducts, whose structures have been elucidated. Among the byproducts were some 1,3-oxazolidines which survived when the reaction was quenched by adding methanol and water under strong acidic conditions.

  DOI：

  10.1021/op500177w

文献信息

• US4675211A
  申请人：——

  公开号：US4675211A

  公开（公告）日：1987-06-23
• US4687834A
  申请人：——

  公开号：US4687834A

  公开（公告）日：1987-08-18
• US5086104A
  申请人：——

  公开号：US5086104A

  公开（公告）日：1992-02-04
• Formation of <i>N</i>,<i>O</i>-Acetals in the Production of X-ray Contrast Agents
  作者：Torfinn Håland、Leiv K. Sydnes

  DOI：10.1021/op500177w

  日期：2014.10.17

  Acetylation of 1 with acetic anhydride, an important step in the preparation of iohexol, gave the corresponding acetanilide and minor amounts of a few byproducts, whose structures have been elucidated. Among the byproducts were some 1,3-oxazolidines which survived when the reaction was quenched by adding methanol and water under strong acidic conditions.