2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(morpholin-4-yl)ethanethione | 177158-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(morpholin-4-yl)ethanethione
• 英文别名: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-morpholin-4-ylethanethione
• CAS: 177158-18-8
• 化学式: C₁₄H₁₇NO₃S
• 分子量: 279.36
• InChiKey: FHKVEZBRIBUFHX-UHFFFAOYSA-N

物化性质

• 沸点：
  429.3±55.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(morpholin-4-yl)ethanethione 在 sodium hydroxide 作用下， 生成 (2,3-二氢-苯并[1,4]二氧-6)-乙酸
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of rac-2-(2,3-dihydro-1,4-benzodioxin)propionic acid and its R and S enantiomers

  摘要：

  Racemic (R,S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propionic acid (3) has been prepared from 2,3-dihydro-1,4-benzodioxin. R-(-)-Pantolactone has been used as auxiliary for the synthesis of R-3 and S-3. The anti-inflammatory properties of the new carboxylic acids are described and compared with other anti-inflammatory agents. The highest activity is exhibited by compound S-3.

  DOI：

  10.1016/s0223-5234(97)84016-0
• 作为产物：
  描述：

  1,4-苯并二恶烷 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 反应 20.0h， 生成 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(morpholin-4-yl)ethanethione
  参考文献：
  名称：

  Vazquez; Rosell; Pujol, Il Farmaco, 1996, vol. 51, # 3, p. 215 - 217

  摘要：

  DOI：

文献信息

• Vazquez; Rosell; Pujol, Il Farmaco, 1996, vol. 51, # 3, p. 215 - 217
  作者：Vazquez、Rosell、Pujol

  DOI：——

  日期：——
• Synthesis and anti-inflammatory activity of rac-2-(2,3-dihydro-1,4-benzodioxin)propionic acid and its R and S enantiomers
  作者：M.T. Vázquez、G Rosell、M.D. Pujol

  DOI：10.1016/s0223-5234(97)84016-0

  日期：1997.6

  Racemic (R,S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propionic acid (3) has been prepared from 2,3-dihydro-1,4-benzodioxin. R-(-)-Pantolactone has been used as auxiliary for the synthesis of R-3 and S-3. The anti-inflammatory properties of the new carboxylic acids are described and compared with other anti-inflammatory agents. The highest activity is exhibited by compound S-3.