ethyl 3-<(4-benzyl-2-morpholinyl)methoxy>-5,6-dihydro-4H-cyclopentathiophene-2-carboxylate | 244135-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: ethyl 3-<(4-benzyl-2-morpholinyl)methoxy>-5,6-dihydro-4H-cyclopentathiophene-2-carboxylate
• CAS: 244135-26-0
• 化学式: C₂₂H₂₇NO₄S
• 分子量: 401.527
• InChiKey: NMVWIACYAHHSJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  48.0
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-<(4-benzyl-2-morpholinyl)methoxy>-5,6-dihydro-4H-cyclopentathiophene-2-carboxylate 在 sodium hydroxide 作用下， 生成 4-benzyl-2-<3-(5,6-dihydro-4H-cyclopentathienyloxymethyl)>morpholine
  参考文献：
  名称：

  Synthesis and preliminary pharmacological evaluation of thiophene analogues of viloxazine as potentialantidepressant drugs

  摘要：

  A series of eight thienyloxymethylmorpholines, thiophene analogues of viloxazine, have been synthesized by three different routes. The preliminary pharmacological evaluation of this series shows antidepressant properties on the mice models used with a light sedative action. The structure-activity relationship is established in a first approximation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00070-x
• 作为产物：
  描述：

  4-benzyl-2-toluene-p-sulphnyloxymethylmorpholine 、 Potassium; 2-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-olate 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 以76%的产率得到ethyl 3-<(4-benzyl-2-morpholinyl)methoxy>-5,6-dihydro-4H-cyclopentathiophene-2-carboxylate
  参考文献：
  名称：

  Synthesis and preliminary pharmacological evaluation of thiophene analogues of viloxazine as potentialantidepressant drugs

  摘要：

  A series of eight thienyloxymethylmorpholines, thiophene analogues of viloxazine, have been synthesized by three different routes. The preliminary pharmacological evaluation of this series shows antidepressant properties on the mice models used with a light sedative action. The structure-activity relationship is established in a first approximation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00070-x