ethyl (2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoate | 134987-94-3

• 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: ethyl (2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoate
• 英文别名: ethyl (2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoate
• CAS: 134987-94-3
• 化学式: C₁₃H₁₄O₂S
• 分子量: 234.319
• InChiKey: CGKKKXGKGSWPMY-IZMYCKBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.44
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl (2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoate 、 Dimethyl(piperidin-1-yl)alumane 生成 (2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoic acid piperidide
  参考文献：
  名称：

  ROSSI, RENZO;CARPITA, ADRIANO;LIPPOLIS, VITO, SYNTH. COMMUN., 21,(1991) N, C. 333-349

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(噻吩-2-基)-2,2-二溴乙烯 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium fluoride 、 Schwartz's reagent 、 四(三苯基膦)钯 、 二异丁基氢化铝 、 三乙胺 、 亚磷酸二乙酯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.0h， 生成 ethyl (2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoate
  参考文献：
  名称：

  Stereoselective Synthesis of Naturally-Occurring 7-(Hetero) Aryl (2E, 4E, 6E)-2, 4, 6-Heptatrienamides and Their Structural Analogues

  摘要：

  A new and efficient highly stereoselective method to prepare naturally-occurring 7-(hetero)aryl (2E,4E,6E)-2,4,6-heptatrienamides and their structural analogues has been developed. The physical and spectral properties of one of these compounds, i.e. (2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoic acid piperidide (4 b), have been found to be quite different from those previously reported for 7-(2-thienyl)-2,4,6-heptatrienoic acid piperidide isolated from Othantus maritimus to which the (2E,4E,6E)-configuration had been previously assigned.

  DOI：

  10.1080/00397919108016755

文献信息

• ROSSI, RENZO;CARPITA, ADRIANO;LIPPOLIS, VITO, SYNTH. COMMUN., 21,(1991) N, C. 333-349
  作者：ROSSI, RENZO、CARPITA, ADRIANO、LIPPOLIS, VITO

  DOI：——

  日期：——
• Stereoselective Synthesis of Naturally-Occurring 7-(Hetero) Aryl (2E, 4E, 6E)-2, 4, 6-Heptatrienamides and Their Structural Analogues
  作者：Renzo Rossi、Adriano Carpita、Vito Lippolis

  DOI：10.1080/00397919108016755

  日期：1991.2

  A new and efficient highly stereoselective method to prepare naturally-occurring 7-(hetero)aryl (2E,4E,6E)-2,4,6-heptatrienamides and their structural analogues has been developed. The physical and spectral properties of one of these compounds, i.e. (2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoic acid piperidide (4 b), have been found to be quite different from those previously reported for 7-(2-thienyl)-2,4,6-heptatrienoic acid piperidide isolated from Othantus maritimus to which the (2E,4E,6E)-configuration had been previously assigned.