ethyl 4-(4,5-diethylocta-(3Z,5E)-3,5-dien-3-yl)benzoate

• 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 4-(4,5-diethylocta-(3Z,5E)-3,5-dien-3-yl)benzoate
• 英文别名: ethyl 4-[(3Z,5E)-4,5-diethylocta-3,5-dien-3-yl]benzoate
• 化学式: C₂₁H₃₀O₂
• 分子量: 314.468
• InChiKey: IOYRRQYBPQPLOG-DOXJHMMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-己炔 、 对碘苯甲酸乙酯 在 正丁基锂 、 二氯二茂锆 、 N,N-二甲基丙烯基脲 、 copper(l) chloride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 以67%的产率得到ethyl 4-(4,5-diethylocta-(3Z,5E)-3,5-dien-3-yl)benzoate
  参考文献：
  名称：

  Selective one carbon-carbon bond formation reaction of zirconacyclopentadienes with aryl iodides or alkynyl iodides

  摘要：

  Reaction of zirconacyclopentadienes with one equiv or two equiv of aryl iodides in the presence of CuCl and DMPU afforded mono-arylated diene derivatives in high yields with high selectivities. Treatment of zirconacyclopentadienes with one equiv of 2-thienyl iodide similarly gave thienyldienes in the presence of CuCl and DMPU, whereas the reaction with two equiv of 2-thienyl iodide produced thienyl iododiene derivatives in high yields. Zirconacyclopentadienes reacted with two equiv of alkynyl iodides to give iododienynes in good yields in the presence of CuCl. This is in sharp contrast to the reaction with two equiv of alkynyl iodides in the presence of CuCl and DMPU which provides dienediynes. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10295-2

文献信息

• Selective one carbon-carbon bond formation reaction of zirconacyclopentadienes with aryl iodides or alkynyl iodides
  作者：Tamotsu Takahashi、Wen-Hua Sun、Chanjuan Xi、Ubayama Haruka、Zhenfeng Xi

  DOI：10.1016/s0040-4020(97)10295-2

  日期：1998.1

  Reaction of zirconacyclopentadienes with one equiv or two equiv of aryl iodides in the presence of CuCl and DMPU afforded mono-arylated diene derivatives in high yields with high selectivities. Treatment of zirconacyclopentadienes with one equiv of 2-thienyl iodide similarly gave thienyldienes in the presence of CuCl and DMPU, whereas the reaction with two equiv of 2-thienyl iodide produced thienyl iododiene derivatives in high yields. Zirconacyclopentadienes reacted with two equiv of alkynyl iodides to give iododienynes in good yields in the presence of CuCl. This is in sharp contrast to the reaction with two equiv of alkynyl iodides in the presence of CuCl and DMPU which provides dienediynes. (C) 1997 Elsevier Science Ltd. All rights reserved.