3,3-Bis(propylsulfanyl)-1-pyridin-2-ylprop-2-en-1-one | 126257-29-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-Bis(propylsulfanyl)-1-pyridin-2-ylprop-2-en-1-one
• CAS: 126257-29-2
• 化学式: C₁₄H₁₉NOS₂
• 分子量: 281.443
• InChiKey: XJQSJKSODMOJGF-UHFFFAOYSA-N

物化性质

• 沸点：
  410.1±45.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3-Bis(propylsulfanyl)-1-pyridin-2-ylprop-2-en-1-one 在 sodium hydroxide 、 sodium tetrahydroborate 、 potassium tert-butylate 、 ammonium acetate 、 溶剂黄146 、 nickel dichloride 作用下， 反应 57.33h， 生成 2,2':6',2'':6'',2''':6''',2''''-quinquepyridine
  参考文献：
  名称：

  Metal ion-induced self-assembly of functionalized 2,6-oligopyridines. 1. Ligand design, synthesis, and characterization

  摘要：

  Synthetic sequences utilizing alpha-oxoketene dithioacetal and enolate chemistry have been developed for the preparation of new functionalized bipyridines, terpyridines, quaterpyridines, quinquepyridines, sexipyridines, septipyridines, octipyridines, novipyridines, and decipyridines. Obtained in moderate to good yields, these oligopyridines were characterized by analytical and spectral data and, for sexipyridine, by X-ray crystallography.

  DOI：

  10.1021/ja00060a029

文献信息

• Enforced Helicity: Efficient Access to Self-Organized Helical Molecular Strands by the Imine Route
  作者：Kevin M. Gardinier、Richard G. Khoury、Jean-Marie Lehn

  DOI：10.1002/1521-3765(20001117)6:22<4124::aid-chem4124>3.0.co;2-m

  日期：2000.11.17

  These molecular strands are shown to adopt helical conformations of 1.5 and 2.5 turns, respectively. The helical shape of 1 has been confirmed and structurally characterized by X-ray crystallography. The results indicate that the pyrimidine-hydrazone unit is a satisfatory helicity codon, so that the facile hydrazone formation provides an efficient procedure for generating helical structures. This

  两个低聚杂环醛 8 和 16 与双肼 17 缩合得到双腙1 和 2。显示这些分子链分别采用 1.5 和 2.5 圈的螺旋构象。1 的螺旋形状已被 X 射线晶体学证实并在结构上表征。结果表明嘧啶-腙单元是一个令人满意的螺旋密码子，因此容易的腙形成为产生螺旋结构提供了有效的方法。这极大地拓宽了基于设计的杂环序列来增强分子链螺旋性的方法的范围，并为各种衍生结构开辟了有趣的途径。
• Potts, Kevin T., Bulletin des Societes Chimiques Belges, 1990, vol. 99, # 9, p. 741 - 768
  作者：Potts, Kevin T.

  DOI：——

  日期：——
• Bassani, Dario M.; Lehn, Jean-Marie, Bulletin de la Societe Chimique de France, 1997, vol. 134, # 10,11, p. 897 - 906
  作者：Bassani, Dario M.、Lehn, Jean-Marie

  DOI：——

  日期：——
• Metal ion-induced self-assembly of functionalized 2,6-oligopyridines. 1. Ligand design, synthesis, and characterization
  作者：Kevin T. Potts、Kimberly A. Gheysen Raiford、Majid Keshavarz-K

  DOI：10.1021/ja00060a029

  日期：1993.4

  Synthetic sequences utilizing alpha-oxoketene dithioacetal and enolate chemistry have been developed for the preparation of new functionalized bipyridines, terpyridines, quaterpyridines, quinquepyridines, sexipyridines, septipyridines, octipyridines, novipyridines, and decipyridines. Obtained in moderate to good yields, these oligopyridines were characterized by analytical and spectral data and, for sexipyridine, by X-ray crystallography.