6-Chloro-1'-methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-Chloro-1'-methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl
• 英文别名: 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
• 化学式: C₁₁H₁₃ClN₂
• 分子量: 208.691
• InChiKey: GJSUWXYHRHGCPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-溴-2-氯吡啶 在 正丁基锂 、 三氟乙酸 作用下， 以 乙醚 为溶剂， 生成 6-Chloro-1'-methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl
  参考文献：
  名称：

  某些Epibatidine类似物的合成和结合研究。

  摘要：

  描述了一系列带有8-氮杂双环[3.2.1]辛烷部分的表巴替丁类似物及其位置异构体。一些化合物，特别是那些含有8-氮杂双环[3.2.1]辛-2-烯部分的化合物显示出对烟碱胆碱能受体的高亲和力。

  DOI：

  10.1016/s0960-894x(99)00575-2

文献信息

• Synthesis, Analgesic Activity, and Binding Properties of Some Epibatidine Analogs with a Tropine Skeleton
  作者：Stanislav Rádl、Wieland Hafner、Milo Budeaínsky、Lucie Hejnová、Ivan Krejcí

  DOI：10.1002/1521-4184(20006)333:6<167::aid-ardp167>3.0.co;2-8

  日期：2000.6

  A series of epibatidine analogs and their positional isomers bearing an 8-azabicyclo[3.2.1]octane moiety is described. Also some of their simplified analogs bearing a 3-piperidine moiety are reported. Their receptor binding profiles (5-HT1A, 5-HT1B, M1, M2, neuronal nicotinic receptor) and analgesic activity (hot plate, acetic acid induced writhing) have been studied. Some of the compounds, especially those containing an 8-azabicyclo[3.2.1]oct-2-ene moiety possess high afinity for the nicotinic cholinergic receptor. The most analgesically active compounds are also highly toxic. Optimized structures (PM3-MOPAC, Alchemy 2000, Tripos Inc.) of compounds 1-9 were compared with that of epibatidine.
• PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：US20190161499A1

  公开（公告）日：2019-05-30

  The present invention relates to 1,2,4-triazole derivatives, to processes for preparing them, to intermediates for preparing them, to pesticidli, in particular insecticidal, acaricidal, molluscicidal and nematicidal compositions comprising those derivatives and to methods of using them to combat and control pests such as insect, acarine, mollusc and nematode pests.