1-ethoxycarbonyl-7-(2-thienyl)-1,6-heptadiyne | 906007-99-6

• 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: 1-ethoxycarbonyl-7-(2-thienyl)-1,6-heptadiyne
• 英文别名: Ethyl 8-thiophen-2-ylocta-2,7-diynoate
• CAS: 906007-99-6
• 化学式: C₁₄H₁₄O₂S
• 分子量: 246.33
• InChiKey: VNXSPACLTQSKSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-ethoxycarbonyl-7-(2-thienyl)-1,6-heptadiyne 、 苯基二氯化磷 在 titanium(IV) isopropylate 、 异丙基氯化镁 作用下， 以 乙醚 为溶剂， 以44%的产率得到ethyl 2-phenyl-1-thiophen-2-yl-5,6-dihydro-4H-cyclopenta[c]phosphole-3-carboxylate
  参考文献：
  名称：

  A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups

  摘要：

  Symmetrically and unsymmetrically 2,5-difunctionalized phospholes bearing ester groups were prepared in a one-pot procedure from the corresponding diynes and dichloro-(phenyl) phosphine via titanacyclopentadienes. The observed optical properties of the functionalized phospholes show that the pi-conjugative push-pull interaction between the 2- and 5-substituents plays an important role in controlling the light-emitting efficiency.

  DOI：

  10.1021/jo0605748
• 作为产物：
  描述：

  1,6-庚二炔 在 四(三苯基膦)钯 copper(l) iodide 、 正丁基锂 作用下， 生成 1-ethoxycarbonyl-7-(2-thienyl)-1,6-heptadiyne
  参考文献：
  名称：

  A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups

  摘要：

  Symmetrically and unsymmetrically 2,5-difunctionalized phospholes bearing ester groups were prepared in a one-pot procedure from the corresponding diynes and dichloro-(phenyl) phosphine via titanacyclopentadienes. The observed optical properties of the functionalized phospholes show that the pi-conjugative push-pull interaction between the 2- and 5-substituents plays an important role in controlling the light-emitting efficiency.

  DOI：

  10.1021/jo0605748

文献信息

• A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups
  作者：Yoshihiro Matano、Tooru Miyajima、Takashi Nakabuchi、Yuichiro Matsutani、Hiroshi Imahori

  DOI：10.1021/jo0605748

  日期：2006.7.1

  Symmetrically and unsymmetrically 2,5-difunctionalized phospholes bearing ester groups were prepared in a one-pot procedure from the corresponding diynes and dichloro-(phenyl) phosphine via titanacyclopentadienes. The observed optical properties of the functionalized phospholes show that the pi-conjugative push-pull interaction between the 2- and 5-substituents plays an important role in controlling the light-emitting efficiency.