5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne | 943032-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne
• 英文别名: 5-Phenothiazin-10-ylpenta-2,4-diyn-1-ol；5-phenothiazin-10-ylpenta-2,4-diyn-1-ol
• CAS: 943032-49-3
• 化学式: C₁₇H₁₁NOS
• 分子量: 277.346
• InChiKey: XUGADJXQECZGBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  48.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne 在 双氧水 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以67%的产率得到5-hydroxy-1-(phenothiazine-5-oxide-10-yl)-1,3-pentadiyne
  参考文献：
  名称：

  Solid State Polymerization of Diacetylenes Incorporating Ynamine Moiety

  摘要：

  Novel ynamine. compounds, 5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne (1), its S-oxide (2) and S-dioxide (3), were prepared. Compound 2 was found to show thermal reactivity to give polydiacetylene, however 1 and 3 did not show any reactivity. Compound 2 stacks along the c axis, forming a columnar structure. The condition of molecular arrangement satisfied Baughman's criterion. Significant intermolecular contact between the oxygen atoms of sulfoxide groups and the adjacent sulfur atoms was recognized.

  DOI：

  10.1080/15421400600786298
• 作为产物：
  描述：

  10-(1,2,2-trichloroethenyl)phenothiazine 在 正丁基锂 、 四甲基乙二胺 、 copper(l) chloride 作用下， 以 四氢呋喃 、 正己烷 、 丙酮 为溶剂， 反应 26.5h， 生成 5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne
  参考文献：
  名称：

  Solid State Polymerization of Diacetylenes Incorporating Ynamine Moiety

  摘要：

  Novel ynamine. compounds, 5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne (1), its S-oxide (2) and S-dioxide (3), were prepared. Compound 2 was found to show thermal reactivity to give polydiacetylene, however 1 and 3 did not show any reactivity. Compound 2 stacks along the c axis, forming a columnar structure. The condition of molecular arrangement satisfied Baughman's criterion. Significant intermolecular contact between the oxygen atoms of sulfoxide groups and the adjacent sulfur atoms was recognized.

  DOI：

  10.1080/15421400600786298

文献信息

• Solid State Polymerization of Diacetylenes Incorporating Ynamine Moiety
  作者：Tsunehisa Okuno、Satoshi Ikeda、Natsuki Kubo、Daniel J. Sandman

  DOI：10.1080/15421400600786298

  日期：2006.10.1

  Novel ynamine. compounds, 5-hydroxy-1-(phenothiazine-10-yl)-1,3-pentadiyne (1), its S-oxide (2) and S-dioxide (3), were prepared. Compound 2 was found to show thermal reactivity to give polydiacetylene, however 1 and 3 did not show any reactivity. Compound 2 stacks along the c axis, forming a columnar structure. The condition of molecular arrangement satisfied Baughman's criterion. Significant intermolecular contact between the oxygen atoms of sulfoxide groups and the adjacent sulfur atoms was recognized.