5-nitro-1,4-dihydro-benzo[d][1,2]dithiine | 343328-05-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 5-nitro-1,4-dihydro-benzo[d][1,2]dithiine
• 英文别名: 5-Nitro-1,4-dihydro-2,3-benzodithiine
• CAS: 343328-05-2
• 化学式: C₈H₇NO₂S₂
• 分子量: 213.281
• InChiKey: SZJJQVKYNCAAFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  96.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium dithionite 、 5-nitro-1,4-dihydro-benzo[d][1,2]dithiine 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 5-amino-1,4-dihydro-benzo[d][1,2]dithiine
  参考文献：
  名称：

  Synthesis and redox-enzyme modulation by amino-1,4-dihydro-benzo[d][1,2]dithiine derivatives

  摘要：

  A convenient method to prepare a series of benzodithiine derivatives was developed, via the synthesis of cyclic disulfide building blocks containing an amino-group linker. Some of the novel cyclic disulfide compounds are shown to modulate the activity of the redox-enzyme glutathione reductase. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.209
• 作为产物：
  描述：

  在 ammonium hydroxide 、 air 作用下， 以 甲醇 为溶剂， 生成 5-nitro-1,4-dihydro-benzo[d][1,2]dithiine
  参考文献：
  名称：

  Synthesis and redox-enzyme modulation by amino-1,4-dihydro-benzo[d][1,2]dithiine derivatives

  摘要：

  A convenient method to prepare a series of benzodithiine derivatives was developed, via the synthesis of cyclic disulfide building blocks containing an amino-group linker. Some of the novel cyclic disulfide compounds are shown to modulate the activity of the redox-enzyme glutathione reductase. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.209

文献信息

• Synthesis and redox-enzyme modulation by amino-1,4-dihydro-benzo[d][1,2]dithiine derivatives
  作者：Sandraliz Espinosa、Melissa Solivan、Cornelis P. Vlaar

  DOI：10.1016/j.tetlet.2009.03.209

  日期：2009.6

  A convenient method to prepare a series of benzodithiine derivatives was developed, via the synthesis of cyclic disulfide building blocks containing an amino-group linker. Some of the novel cyclic disulfide compounds are shown to modulate the activity of the redox-enzyme glutathione reductase. (C) 2009 Elsevier Ltd. All rights reserved.