1-Benzo[1,3]dioxol-5-yl-2-[1-methyl-tetrahydro-pyrimidin-(2E)-ylidene]-ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-Benzo[1,3]dioxol-5-yl-2-[1-methyl-tetrahydro-pyrimidin-(2E)-ylidene]-ethanone
• 英文别名: (2E)-1-(1,3-benzodioxol-5-yl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
• 化学式: C₁₄H₁₆N₂O₃
• 分子量: 260.293
• InChiKey: AXTSHQGLQBAYIS-RIYZIHGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2-二甲基-1,4,5,6-四氢嘧啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 作用下， 生成 1-Benzo[1,3]dioxol-5-yl-2-[1-methyl-tetrahydro-pyrimidin-(2E)-ylidene]-ethanone
  参考文献：
  名称：

  Synthesis and nematocidal activities of new analogs of pyrantel

  摘要：

  A set of new analogs of pyrantel was synthesized in good yields by lithiation of 1,2-dimethyltetrahydropyrimidine with n-butyllithium in tetrahydrofuran and condensation with aromatic esters. Spectrometric studies showed the large influence of intramolecular bonding in the tautomeric equilibria between the possible structures. Anthelmintic screening showed in vitro efficiency against Molinema dessetae, but a weak activity against Rhabditis pseudoelongata and Nippostrongylus brasiliensis.

  DOI：

  10.1016/0223-5234(96)88262-6

文献信息

• Synthesis and nematocidal activities of new analogs of pyrantel
  作者：N Kraouti、R Caujolle、S Labidalle、M Payard、PM Loiseau、C Bories、P Gayral

  DOI：10.1016/0223-5234(96)88262-6

  日期：1995.1

  A set of new analogs of pyrantel was synthesized in good yields by lithiation of 1,2-dimethyltetrahydropyrimidine with n-butyllithium in tetrahydrofuran and condensation with aromatic esters. Spectrometric studies showed the large influence of intramolecular bonding in the tautomeric equilibria between the possible structures. Anthelmintic screening showed in vitro efficiency against Molinema dessetae, but a weak activity against Rhabditis pseudoelongata and Nippostrongylus brasiliensis.