1,1-diphenyl-3-[2-(1-hexynyl)-1-cyclopentenyl]-1,2-propadiene | 184155-10-0

• 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: 1,1-diphenyl-3-[2-(1-hexynyl)-1-cyclopentenyl]-1,2-propadiene
• CAS: 184155-10-0
• 化学式: C₂₆H₂₆
• 分子量: 338.492
• InChiKey: WAWWBKKZOAQGEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1-diphenyl-3-[2-(1-hexynyl)-1-cyclopentenyl]-1,2-propadiene 在 1,4-CHD 作用下， 反应 6.0h， 以57%的产率得到5-Benzhydryl-6-butyl-indan
  参考文献：
  名称：

  Synthesis of (4Z)-1,1-Diphenyl-1,2,4-heptatrien-6-ynes and Their Facile Cycloaromatizations to α,3-Didehydrotoluene Biradicals Having a Triarylmethyl Radical Center

  摘要：

  The Horner reaction between enynyl aldehydes 12 and phosphinoxy carbanion 11 provided enyne-allenes 14. Thermolysis (37-80 degrees C) of 1,4-cyclohexadiene solutions of 14 gave 20 via alpha,3-didehydrotoluene biradicals 19 having a reactive aryl radical center and a stabilized triaryhmethyl radical center. In the absence of 1,4-cyclohexadiene, 19e underwent intramolecular II-atom transfer between the proximal benzylic methyl group and the aryl radical center to give the more stable biradical 21, the ultimate precursor of 22.

  DOI：

  10.1021/jo961073x
• 作为产物：
  描述：

  phenylethynyl diphenylphosphine oxide 在 正丁基锂 、 碘 、 copper(I) bromide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 12.5h， 生成 1,1-diphenyl-3-[2-(1-hexynyl)-1-cyclopentenyl]-1,2-propadiene
  参考文献：
  名称：

  Synthesis of (4Z)-1,1-Diphenyl-1,2,4-heptatrien-6-ynes and Their Facile Cycloaromatizations to α,3-Didehydrotoluene Biradicals Having a Triarylmethyl Radical Center

  摘要：

  The Horner reaction between enynyl aldehydes 12 and phosphinoxy carbanion 11 provided enyne-allenes 14. Thermolysis (37-80 degrees C) of 1,4-cyclohexadiene solutions of 14 gave 20 via alpha,3-didehydrotoluene biradicals 19 having a reactive aryl radical center and a stabilized triaryhmethyl radical center. In the absence of 1,4-cyclohexadiene, 19e underwent intramolecular II-atom transfer between the proximal benzylic methyl group and the aryl radical center to give the more stable biradical 21, the ultimate precursor of 22.

  DOI：

  10.1021/jo961073x