2-[2-(4-氯苯基)吗啉-4-基]乙基苯基碳酸酯盐酸盐

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 2-[2-(4-氯苯基)吗啉-4-基]乙基苯基碳酸酯盐酸盐
• 英文名称: Carbonic acid 2-[2-(4-chloro-phenyl)-morpholin-4-yl]-ethyl ester phenyl ester; hydrochloride
• 英文别名: 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl phenyl carbonate;hydron;chloride
• 化学式: C₁₉H₂₀ClNO₄*ClH
• 分子量: 398.286
• InChiKey: DHJXWMJHLPBQHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  48
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吗啉 、 2-[2-(4-氯苯基)吗啉-4-基]乙基苯基碳酸酯盐酸盐 以 苯 为溶剂， 反应 12.0h， 以71%的产率得到2-[2-(4-氯苯基)吗啉-4-基]乙基吗啉-4-羧酸酯盐酸盐
  参考文献：
  名称：

  Synthesis, toxicological and pharmacological assessment of esters of carbonic and carbamic acids with 2-aryl-4-hydroxyethylmorpholines

  摘要：

  The synthesis of 15 original morpholine derivatives from 4-hydroxyethyl-2-arylmorpholines is described. The structures of the synthesized esters were proved by LR, H-1-NMR and C-13-NMR data. Acute toxicity studies of the compounds were performed on mice. A comparative pharmacological study of the in vivo effect on the central nervous system was realized by certain screening tests: hexobarbital-induced sleeping time, locomotor activity and behavior despair test for antidepressants. The results indicate that some of the compounds are less toxic than the reference drug Moclobemide (Aurorix). Compound 2d, 2-(4-bromphenyl)-4-(2-phenyloxycarbonyloxyethyl)morpholine, has a low toxicity and weak dose-dependent antidepressive activity. This compound does not influence hexobarbital-induced sleeping time or locomotor activity of mice.

  DOI：

  10.1016/s0223-5234(97)89855-8
• 作为产物：
  描述：

  2,4'-二氯苯乙酮 在 甲酸 作用下， 以 苯 为溶剂， 反应 15.0h， 生成 2-[2-(4-氯苯基)吗啉-4-基]乙基苯基碳酸酯盐酸盐
  参考文献：
  名称：

  Synthesis, toxicological and pharmacological assessment of esters of carbonic and carbamic acids with 2-aryl-4-hydroxyethylmorpholines

  摘要：

  The synthesis of 15 original morpholine derivatives from 4-hydroxyethyl-2-arylmorpholines is described. The structures of the synthesized esters were proved by LR, H-1-NMR and C-13-NMR data. Acute toxicity studies of the compounds were performed on mice. A comparative pharmacological study of the in vivo effect on the central nervous system was realized by certain screening tests: hexobarbital-induced sleeping time, locomotor activity and behavior despair test for antidepressants. The results indicate that some of the compounds are less toxic than the reference drug Moclobemide (Aurorix). Compound 2d, 2-(4-bromphenyl)-4-(2-phenyloxycarbonyloxyethyl)morpholine, has a low toxicity and weak dose-dependent antidepressive activity. This compound does not influence hexobarbital-induced sleeping time or locomotor activity of mice.

  DOI：

  10.1016/s0223-5234(97)89855-8