2-{3-[(E)-2-(4-Chloro-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enylidene}-malononitrile | 27374-64-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-{3-[(E)-2-(4-Chloro-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enylidene}-malononitrile
• 英文别名: 2-[3-[2-(4-Chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
• CAS: 27374-64-7
• 化学式: C₁₉H₁₇ClN₂
• 分子量: 308.81
• InChiKey: DBIVVISYVBWSLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-{3-[(E)-2-(4-Chloro-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enylidene}-malononitrile 在 吗啉 、 sulfur 作用下， 生成 2-Amino-5-[(E)-2-(4-chloro-phenyl)-vinyl]-7,7-dimethyl-6,7-dihydro-benzo[b]thiophene-3-carbonitrile
  参考文献：
  名称：

  Desai; Shah, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 8, p. 668 - 674

  摘要：

  DOI：
• 作为产物：
  描述：

  异佛尔酮 在 哌啶 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 16.0h， 生成 2-{3-[(E)-2-(4-Chloro-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enylidene}-malononitrile
  参考文献：
  名称：

  Synthesis and fluorescence of dicyanoisophorone derivatives

  摘要：

  A class of dicyanoisophorone derivatives 1-5 with electron-donating groups has been prepared by a two-step condensation reaction. Fluorescence both in solution and in pure solid state are measured. It is found that dicyanoisophorone derivatives 1-5 exhibit fluorescence in both solution and pure solid state. An enhancement of fluorescence in solid state probably results from the aggregation-induced emission. It is also found that dicyanoisophorone derivatives 1-5 show large Stoke's shifts in solution as well as in pure solid state. The origin of fluorescence of dicyanoisophorone derivatives depends on the nature of substituents, with a strong push pull chromophores dicyanoisophorone system, red or orange solid-state fluorescence is obtained. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.05.031