1,3-Dimethyl-4-(3-phenyl)-propylpyridiniumiodid

• 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: 1,3-Dimethyl-4-(3-phenyl)-propylpyridiniumiodid
• 英文别名: 3-methyl-4-(3-phenylpropyl)pyridine methiodide；1,3-Dimethyl-4-(3-phenylpropyl)pyridin-1-ium;iodide
• 化学式: C₁₆H₂₀N*I
• 分子量: 353.246
• InChiKey: RHKRAKLWLKDPFF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.0
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-Dimethyl-4-(3-phenyl)-propylpyridiniumiodid 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以76%的产率得到1,3-dimethyl-4-(3-phenylpropyl)-1,2,5,6-tetrahydropyridine
  参考文献：
  名称：

  Synthesis and antifungal activity of novel aza-d--homosteroids, hydroisoquinolines, pyridines and dihydropyridines

  摘要：

  A series of novel aza-D-homosteroids and their hydroisoquinoline precursors were synthesized and tested for antifungal activity against a variety of Candida strains and also Aspergillus species. A number of 4-substituted pyridines and tetrahydropyridines were also tested. Several compounds showed a broad spectrum of modest antifungal activity and three structures were investigated further for fungicidal and in vivo activity.

  DOI：

  10.1016/0223-5234(96)89557-2
• 作为产物：
  描述：

  3-甲基-4-氰基吡啶 在 氢氧化钾 、 一水合肼 、 magnesium 作用下， 以 丙酮 为溶剂， 反应 7.5h， 生成 1,3-Dimethyl-4-(3-phenyl)-propylpyridiniumiodid
  参考文献：
  名称：

  Intramolekulare Aromatenalkylierungen, 18. Mitt. Synthese von 3,4-Dihydro-1′-methylspiro[naphthalin-1(2H), 4′-piperidinen]

  摘要：

  AbstractAus den Tetrahydropyridinen 10 entstehen in siedender Bromwasserstoffsäure stereoselektiv die Titelverbindungen 12, deren Struktur und Konfiguration durch NMR‐Spektroskopie und Röntgenstrukturanalyse bewiesen wird. Die Vorstufen 10 werden aus den Pyridincarbonitrilen 5 und den Grignardreagenzien 6 nach Standardverfahren gewonnen.

  DOI：

  10.1002/ardp.19873200502

文献信息

• REIMANN E.; SPECKBACHER J.; LOTTER H., ARCH. PHARM., 320,(1987) N 5, 385-393
  作者：REIMANN E.、 SPECKBACHER J.、 LOTTER H.

  DOI：——

  日期：——
• Synthesis and antifungal activity of novel aza-d--homosteroids, hydroisoquinolines, pyridines and dihydropyridines
  作者：GL Patrick、OS Kinsman

  DOI：10.1016/0223-5234(96)89557-2

  日期：1996.1

  A series of novel aza-D-homosteroids and their hydroisoquinoline precursors were synthesized and tested for antifungal activity against a variety of Candida strains and also Aspergillus species. A number of 4-substituted pyridines and tetrahydropyridines were also tested. Several compounds showed a broad spectrum of modest antifungal activity and three structures were investigated further for fungicidal and in vivo activity.
• Intramolekulare Aromatenalkylierungen, 18. Mitt. Synthese von 3,4-Dihydro-1′-methylspiro[naphthalin-1(2H), 4′-piperidinen]
  作者：Eberhard Reimann、Johann Speckbacher、Hermann Lotter

  DOI：10.1002/ardp.19873200502

  日期：——

  AbstractAus den Tetrahydropyridinen 10 entstehen in siedender Bromwasserstoffsäure stereoselektiv die Titelverbindungen 12, deren Struktur und Konfiguration durch NMR‐Spektroskopie und Röntgenstrukturanalyse bewiesen wird. Die Vorstufen 10 werden aus den Pyridincarbonitrilen 5 und den Grignardreagenzien 6 nach Standardverfahren gewonnen.