4-(戊氧基)苯乙腈 | 50690-55-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(戊氧基)苯乙腈
• 中文别名: 2-(4-(戊基氧基)苯基)乙腈
• 英文名称: p-pentoxyphenylacetonitrile
• 英文别名: [p-(Pentyloxy)phenyl]acetonitrile；2-(4-pentoxyphenyl)acetonitrile
• CAS: 50690-55-6
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: ISTXQYXAYXMCHS-UHFFFAOYSA-N

物化性质

• 沸点：
  176-178 °C(Press: 10 Torr)
• 密度：
  0.988

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  4-(戊氧基)苯乙腈 在 盐酸 、 氢氧化钾 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Thermal Properties of Twin Dimers Containing Cyanostilbene Derivatives as a Mesogenic Group

  摘要：

  We synthesized twin dimers ( TDs) with different linking groups between a mesogenic group and a flexible spacer, different spacer length, and different terminal alkyl chain length to clarify the effect of these groups on the mesomorphic properties of the TDs. A remarkable odd-even effect on the phase transition temperatures and nematic-isotrophic phase transition entropy changes was observed for the TDs with different spacer length. Liquid crystallinity of TDs with ester linking group was superior to that of TDs with ether linking group. Length of terminal group played an important role in exhibiting a smectic phase for TDs with ester linking group.

  DOI：

  10.1080/15421400490478326
• 作为产物：
  描述：

  对羟基苯乙腈 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 8.0h， 生成 4-(戊氧基)苯乙腈
  参考文献：
  名称：

  Design of inhibitors from the three-dimensional structure of alcohol dehydrogenase. Chemical synthesis and enzymic properties

  摘要：

  DOI：

  10.1021/ja00323a048

文献信息

• Daugvila,Yu. et al., Journal of general chemistry of the USSR, 1976, vol. 46, p. 2044 - 2048
  作者：Daugvila,Yu. et al.

  DOI：——

  日期：——
• Design of inhibitors from the three-dimensional structure of alcohol dehydrogenase. Chemical synthesis and enzymic properties
  作者：Charles Freudenreich、Jean Pierre Samama、Jean Francois Biellmann

  DOI：10.1021/ja00323a048

  日期：1984.5
• Synthesis and Thermal Properties of Twin Dimers Containing Cyanostilbene Derivatives as a Mesogenic Group
  作者：T. Mihara、M. Ito、N. Koide

  DOI：10.1080/15421400490478326

  日期：2004.1

  We synthesized twin dimers ( TDs) with different linking groups between a mesogenic group and a flexible spacer, different spacer length, and different terminal alkyl chain length to clarify the effect of these groups on the mesomorphic properties of the TDs. A remarkable odd-even effect on the phase transition temperatures and nematic-isotrophic phase transition entropy changes was observed for the TDs with different spacer length. Liquid crystallinity of TDs with ester linking group was superior to that of TDs with ether linking group. Length of terminal group played an important role in exhibiting a smectic phase for TDs with ester linking group.