2,3-dihydro-1,4-benzodioxin-3-ylmethylcyanamide | 374535-65-6

• 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: 2,3-dihydro-1,4-benzodioxin-3-ylmethylcyanamide
• CAS: 374535-65-6
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: AXWVEXGCFIVJKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,3-dihydro-1,4-benzodioxin-3-ylmethylcyanamide 在 羟胺 、 potassium carbonate 作用下， 生成 2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-hydroxyguanidine
  参考文献：
  名称：

  N-Hydroxyl derivatives of guanidine based drugs as enzymatic NO donors

  摘要：

  Recent research suggests that NO may play a role in the physiological effects of some guanidine-containing drugs. In this guanethidine together with their N-hydroxyl derivatives were report, three guanidine-containing drugs (guanadrel, guanoxan, and guanethidine) together with their N-hydroxyl derivatives were synthesized and their NO-releasing abilities catalyzed by nitric oxide synthases (NOSs) and horseradish peroxidase were evaluated. The guanidine containing compounds could not release NO in the presence of NOS or peroxidase. The corresponding N-hydroxyl compounds exhibited Weak NO-releasing ability under the catalyzed of NOS and good NO-releasing ability tinder the oxidation by horseradish peroxidase in the presence of H2O2. These compounds also displayed vasodilatory activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00456-5
• 作为产物：
  描述：

  2-azidomethyl-2,3-dihydro-1,4-benzodioxine 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 生成 2,3-dihydro-1,4-benzodioxin-3-ylmethylcyanamide
  参考文献：
  名称：

  N-Hydroxyl derivatives of guanidine based drugs as enzymatic NO donors

  摘要：

  Recent research suggests that NO may play a role in the physiological effects of some guanidine-containing drugs. In this guanethidine together with their N-hydroxyl derivatives were report, three guanidine-containing drugs (guanadrel, guanoxan, and guanethidine) together with their N-hydroxyl derivatives were synthesized and their NO-releasing abilities catalyzed by nitric oxide synthases (NOSs) and horseradish peroxidase were evaluated. The guanidine containing compounds could not release NO in the presence of NOS or peroxidase. The corresponding N-hydroxyl compounds exhibited Weak NO-releasing ability under the catalyzed of NOS and good NO-releasing ability tinder the oxidation by horseradish peroxidase in the presence of H2O2. These compounds also displayed vasodilatory activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00456-5