N-{5-Diethylamino-2-[1,3,3-tricyano-2-(toluene-4-sulfonylamino)-prop-2-en-(Z)-ylideneamino]-phenyl}-acetamide | 140714-33-6

• 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: N-{5-Diethylamino-2-[1,3,3-tricyano-2-(toluene-4-sulfonylamino)-prop-2-en-(Z)-ylideneamino]-phenyl}-acetamide
• CAS: 140714-33-6
• 化学式: C₂₅H₂₅N₇O₃S
• 分子量: 503.585
• InChiKey: RJNXUIDJGWDCTC-BGABXYSRSA-N

物化性质

• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  162.24
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  氯甲酸乙酯 、 N-{5-Diethylamino-2-[1,3,3-tricyano-2-(toluene-4-sulfonylamino)-prop-2-en-(Z)-ylideneamino]-phenyl}-acetamide 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以72%的产率得到ethyl (Z)-(3-((2-acetamido-4-(diethylamino)phenyl)imino)-1,1,3-tricyanoprop-1-en-2-yl)(tosyl)carbamate
  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
• 作为产物：
  描述：

  2-亚硝基-5-(N,N-二乙基氨基)乙酰苯胺 在 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 N-{5-Diethylamino-2-[1,3,3-tricyano-2-(toluene-4-sulfonylamino)-prop-2-en-(Z)-ylideneamino]-phenyl}-acetamide
  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