diethyl (Z,Z)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate | 823222-05-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: diethyl (Z,Z)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate
• 英文别名: diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate；N,N'-Bis[1-(ethoxycarbonyl)prop-1-en-2-yl]ethylenediamine；ethyl (E)-3-[2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]ethylamino]but-2-enoate
• CAS: 823222-05-5
• 化学式: C₁₄H₂₄N₂O₄
• 分子量: 284.356
• InChiKey: HMXUQEJOCJENHF-WGDLNXRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 乙二胺 以 乙醇 为溶剂， 以92%的产率得到diethyl (Z,Z)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate
  参考文献：
  名称：

  Diethyl (Z,Z)-3,3′-(ethane-1,2-diyldiimino)dibut-2-enoate

  摘要：

  The title compound, C14H24N2O4, is an intermediate in the synthesis of the corresponding heterocyclic compounds. The molecule lies about a twofold axis and has a 'twist' conformation; it adopts the Z,Z configuration, which is shown to be governed mainly by intramolecular hydrogen bonds.

  DOI：

  10.1107/s0108270104000241

文献信息

• Diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate
  作者：Zhi-Min Jin、Li Li、Mei-Chao Li、Mao-Lin Hu、Liang Shen

  DOI：10.1107/s0108270104016130

  日期：2004.9.15

  The title compound, C14H24N2O4, consists of two symmetric moieties related through a twofold axis. The whole molecule has a cis conformation. Both the ionic enol form and the nonionic keto form make comparable contributions to the structure. In the crystal structure, in nite supramolecular chains are formed through N-H...O hydrogen bonds.
• Diethyl (<i>Z</i>,<i>Z</i>)-3,3′-(ethane-1,2-diyldiimino)dibut-2-enoate
  作者：Zhenfeng Zhang、Shuo Jin、Zhuobin Shang、Shuping Huang、Bo Liu、Jianping Guo

  DOI：10.1107/s0108270104000241

  日期：2004.3.15

  The title compound, C14H24N2O4, is an intermediate in the synthesis of the corresponding heterocyclic compounds. The molecule lies about a twofold axis and has a 'twist' conformation; it adopts the Z,Z configuration, which is shown to be governed mainly by intramolecular hydrogen bonds.