methyl 2-(1,3-dithian-2-yl)indole-1-carboxylate | 141018-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl 2-(1,3-dithian-2-yl)indole-1-carboxylate
• CAS: 141018-68-0
• 化学式: C₁₄H₁₅NO₂S₂
• 分子量: 293.411
• InChiKey: IDQOUSQZJQIWRI-UHFFFAOYSA-N

物化性质

• 沸点：
  479.2±55.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-((E)-2-Methoxycarbonyl-vinyl)-1-methyl-pyridinium; iodide 、 methyl 2-(1,3-dithian-2-yl)indole-1-carboxylate 在 lithium diisopropyl amide 作用下， 生成 methyl 4-<2-(1,3-dithian-2-yl)-1-(methoxycarbonyl)-3-indolyl>-1-methyl-1,4-dihydropyridine-3(E)-acrylate
  参考文献：
  名称：

  Nucleophilic addition of 2-indolylacyl anion equivalents to N-alkylpyridinium salts

  摘要：

  The reactions of the anions derived from dithioacetals 1-3 and a-amino nitriles 4 toward pyridinium salts 5 are studied. Depending on the nucleophile used, 2-(dihydropyridylmethyl)indoles 6 and 7, which can be cyclized to tetracyclic methanoazocinindole systems 10 and 11, respectively, or 2-substituted 3-(dihydropyridyl)indoles 8 and 9 are formed.

  DOI：

  10.1021/jo00036a015
• 作为产物：
  描述：

  2-(1',3'-Dithian-2'-yl)indole 、 氯甲酸甲酯 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 生成 methyl 2-(1,3-dithian-2-yl)indole-1-carboxylate
  参考文献：
  名称：

  Nucleophilic addition of 2-indolylacyl anion equivalents to N-alkylpyridinium salts

  摘要：

  The reactions of the anions derived from dithioacetals 1-3 and a-amino nitriles 4 toward pyridinium salts 5 are studied. Depending on the nucleophile used, 2-(dihydropyridylmethyl)indoles 6 and 7, which can be cyclized to tetracyclic methanoazocinindole systems 10 and 11, respectively, or 2-substituted 3-(dihydropyridyl)indoles 8 and 9 are formed.

  DOI：

  10.1021/jo00036a015

文献信息

• Nucleophilic addition of 2-indolylacyl anion equivalents to N-alkylpyridinium salts
  作者：M. Lluisa Bennasar、Ester Zulaica、Joan Bosch

  DOI：10.1021/jo00036a015

  日期：1992.5

  The reactions of the anions derived from dithioacetals 1-3 and a-amino nitriles 4 toward pyridinium salts 5 are studied. Depending on the nucleophile used, 2-(dihydropyridylmethyl)indoles 6 and 7, which can be cyclized to tetracyclic methanoazocinindole systems 10 and 11, respectively, or 2-substituted 3-(dihydropyridyl)indoles 8 and 9 are formed.

表征谱图