4-[(2-oxo-benzothiazol-3-yl)-acetyl]-morpholine | 14454-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 4-[(2-oxo-benzothiazol-3-yl)-acetyl]-morpholine
• 英文别名: 3-[2-(morpholin-4-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-one；3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
• CAS: 14454-35-4
• 化学式: C₁₃H₁₄N₂O₃S
• 分子量: 278.332
• InChiKey: OHCAHYUISQHMTQ-UHFFFAOYSA-N

物化性质

• 熔点：
  245 °C
• 沸点：
  513.5±60.0 °C(Predicted)
• 密度：
  1.382±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-羟基苯并噻唑 、 2-氯-1-吗琳乙-1-酮 在 sodium 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以64.02%的产率得到4-[(2-oxo-benzothiazol-3-yl)-acetyl]-morpholine
  参考文献：
  名称：

  Anti-nociceptive and anti-inflammatory activity of some (2-benzoxazolone-3-yl and 2-benzothiazolone-3-yl) acetic acid derivatives

  摘要：

  Sixteen (2-benzothiazolone-3-yl and 2-benzoxazolone-3-yl)acetic acid derivatives 5 have been tested for anti-nociceptive and antiinflammatory activity in this study. 4-[2-(6-Benzoyl-2-benzoxazolone-3-yl)acetyl] morpholine (5c),4-{2-[6-(2-chloro-benzoyl)-2-benzoxazolone-3-yl]acetyl} -morpholine (5d), 1-[2-(5-chloro-2-benzoxazolone-3-yl)acetyl]pyrrolidine (5f), methyl (6-methyl-2-benzoxazolone-3-yl)acetate (5k) and N,N-diethyl-2-(2-benzothiazolone-3-yl)acetamide (5m) have shown more potent anti-nociceptive activity than others. Among these compounds, 5c, 5d and 5m have exhibited good anti-inflammatory activity, with 5f, and to a lesser extent, the other molecules displaying some toxic potential. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0014-827x(97)00017-7

文献信息

• Anti-nociceptive and anti-inflammatory activity of some (2-benzoxazolone-3-yl and 2-benzothiazolone-3-yl) acetic acid derivatives
  作者：Deniz Songül Dogruer、Serdar Ünlü、Mustafa Fethi Şahin、Erdem Yqilada

  DOI：10.1016/s0014-827x(97)00017-7

  日期：1998.1

  Sixteen (2-benzothiazolone-3-yl and 2-benzoxazolone-3-yl)acetic acid derivatives 5 have been tested for anti-nociceptive and antiinflammatory activity in this study. 4-[2-(6-Benzoyl-2-benzoxazolone-3-yl)acetyl] morpholine (5c),4-2-[6-(2-chloro-benzoyl)-2-benzoxazolone-3-yl]acetyl} -morpholine (5d), 1-[2-(5-chloro-2-benzoxazolone-3-yl)acetyl]pyrrolidine (5f), methyl (6-methyl-2-benzoxazolone-3-yl)acetate (5k) and N,N-diethyl-2-(2-benzothiazolone-3-yl)acetamide (5m) have shown more potent anti-nociceptive activity than others. Among these compounds, 5c, 5d and 5m have exhibited good anti-inflammatory activity, with 5f, and to a lesser extent, the other molecules displaying some toxic potential. (C) 1998 Elsevier Science S.A.