(3Z)-2-amino-4-[4-(diethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile | 112304-75-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (3Z)-2-amino-4-[4-(diethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile
• CAS: 112304-75-3
• 化学式: C₁₇H₁₇N₅
• 分子量: 291.355
• InChiKey: URHOOZIUBBUGPX-NTEUORMPSA-N

物化性质

• 沸点：
  624.9±55.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3Z)-2-amino-4-[4-(diethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile 在 碘 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 (E)-2,4-Dicyano-5-(4-diethylamino-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-hexa-2,4-dienedinitrile
  参考文献：
  名称：

  New dyes derived from malononitrile dimer

  摘要：

  The very special reactivity of the amino substituent in malononitrile dimer (1) has been used to develop a range of new dyes covering the full spectral range. Under the appropriate reaction conditions, the amino substituent in dyes derived from 1 can react with electrophiles, such as acyl halides, resulting in a large bathochromic shift. The amino group can thereby be transformed into a good leaving group suitable for nucleophilic substitution.

  DOI：

  10.1016/s0040-4039(00)91588-0

文献信息

• New dyes derived from malononitrile dimer
  作者：Luc J. Vanmaele

  DOI：10.1016/s0040-4039(00)91588-0

  日期：1992.2

  The very special reactivity of the amino substituent in malononitrile dimer (1) has been used to develop a range of new dyes covering the full spectral range. Under the appropriate reaction conditions, the amino substituent in dyes derived from 1 can react with electrophiles, such as acyl halides, resulting in a large bathochromic shift. The amino group can thereby be transformed into a good leaving group suitable for nucleophilic substitution.