ethyl 2-phenyl-1-thiophen-2-yl-5,6-dihydro-4H-cyclopenta[c]phosphole-3-carboxylate | 906008-07-9

• 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: ethyl 2-phenyl-1-thiophen-2-yl-5,6-dihydro-4H-cyclopenta[c]phosphole-3-carboxylate
• CAS: 906008-07-9
• 化学式: C₂₀H₁₉O₂PS
• 分子量: 354.409
• InChiKey: ZJASXCKDGNMGGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  ethyl 2-phenyl-1-thiophen-2-yl-5,6-dihydro-4H-cyclopenta[c]phosphole-3-carboxylate 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 二氯甲烷 为溶剂， 反应 120.0h， 以35%的产率得到2-Phenyl-3-thiophen-2-yl-2-thioxo-2,4,5,6-tetrahydro-2λ⁵-cyclopenta[c]phosphole-1-carboxylic acid ethyl ester
  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-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