2-methyl-6-(3-nitrophenyl)hexa-3,5-diyn-2-ol | 125600-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-6-(3-nitrophenyl)hexa-3,5-diyn-2-ol
• CAS: 125600-44-4
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: ZNARAVOFPIOXML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.37
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-methyl-6-(3-nitrophenyl)hexa-3,5-diyn-2-ol 在 potassium hydroxide 作用下， 以 甲苯 为溶剂， 以13%的产率得到1-Buta-1,3-diynyl-3-nitrobenzene
  参考文献：
  名称：

  Solid-State Polymerization of Monophenylbutadiyne Derivatives

  摘要：

  Solid-state polymerization of phenylbutadiyne derivatives with o-nitro, m-nitro or p-nitro group was investigated. All monomers in bulk crystals could be thermally polymerized to become black suggesting formation of extended p-conjugation system. However, no regular polydiacetylene structures were confirmed by the structural analysis. Nanocrystals of the m-nitro derivative were prepared, and the different polymerization behavior compared with in the bulk crystals was observed.

  DOI：

  10.1080/15421400902950030
• 作为产物：
  描述：

  2-甲基-4-(3-硝基苯基)丁-3-炔-2-醇 在 异丙胺 、 copper(l) chloride 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 2-methyl-6-(3-nitrophenyl)hexa-3,5-diyn-2-ol
  参考文献：
  名称：

  Solid-State Polymerization of Monophenylbutadiyne Derivatives

  摘要：

  Solid-state polymerization of phenylbutadiyne derivatives with o-nitro, m-nitro or p-nitro group was investigated. All monomers in bulk crystals could be thermally polymerized to become black suggesting formation of extended p-conjugation system. However, no regular polydiacetylene structures were confirmed by the structural analysis. Nanocrystals of the m-nitro derivative were prepared, and the different polymerization behavior compared with in the bulk crystals was observed.

  DOI：

  10.1080/15421400902950030

文献信息

• MATSUDA, XIROO;OKADA, SYUDZI;NAKANISI, XATIRO;KATO, MASAO;XORAJ, SIGEHRU;+
  作者：MATSUDA, XIROO、OKADA, SYUDZI、NAKANISI, XATIRO、KATO, MASAO、XORAJ, SIGEHRU、+

  DOI：——

  日期：——