ethyl 2-(2',3',4',5'-tetraethyl-1'-methyl-1'-cyclopentadienyl)ethanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl 2-(2',3',4',5'-tetraethyl-1'-methyl-1'-cyclopentadienyl)ethanoate
• 英文别名: Ethyl 2-(2,3,4,5-tetraethyl-1-methylcyclopenta-2,4-dien-1-yl)acetate；ethyl 2-(2,3,4,5-tetraethyl-1-methylcyclopenta-2,4-dien-1-yl)acetate
• 化学式: C₁₈H₃₀O₂
• 分子量: 278.435
• InChiKey: BKZWPJSJLAALIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 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：

  (Z)-3-iodo-but-2-enoic acid ethyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 在 copper(l) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以54%的产率得到ethyl 2-(2',3',4',5'-tetraethyl-1'-methyl-1'-cyclopentadienyl)ethanoate
  参考文献：
  名称：

  Reaction of Zirconacycles with 3-Iodopropenoates and 3-Iodocycloenones in the Presence of CuCl:  A New Pathway for the Formation of Cyclopentadienes and Spirocyclic Compounds

  摘要：

  Formation of cyclic compounds from zirconacycles has been performed by a combination of Michael addition and coupling with an alkenyl iodide moiety in the presence of a stoichiometric amount of CuCl. The reaction of 3-iodopropenoates with various zirconacyclopentadienes in the presence of a stoichiometric amount of CuCl afforded penta- and hexasubstituted cyclopentadienes. The reaction of 3-iodocycloenones with zirconacyclopentadienes, zirconacyclopentenes, or zirconacyclopentanes gave spirocyclic compounds in good yields.

  DOI：

  10.1021/jo9905975

文献信息

• Cross coupling-conjugate addition reaction of zirconacyclopentadienes with 3-iodopropenoates
  作者：Martin Kotora、Chanjuan Xi、Tamotsu Takahashi

  DOI：10.1016/s0040-4039(98)00762-x

  日期：1998.6

  Copper-mediated reaction of zirconacyclopentadienes with iodopropenoates afforded penta- and hexasubstituted cyclopentadienes. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Reaction of Zirconacycles with 3-Iodopropenoates and 3-Iodocycloenones in the Presence of CuCl:  A New Pathway for the Formation of Cyclopentadienes and Spirocyclic Compounds
  作者：Chanjuan Xi、Martin Kotora、Kiyohiko Nakajima、Tamotsu Takahashi

  DOI：10.1021/jo9905975

  日期：2000.2.1

  Formation of cyclic compounds from zirconacycles has been performed by a combination of Michael addition and coupling with an alkenyl iodide moiety in the presence of a stoichiometric amount of CuCl. The reaction of 3-iodopropenoates with various zirconacyclopentadienes in the presence of a stoichiometric amount of CuCl afforded penta- and hexasubstituted cyclopentadienes. The reaction of 3-iodocycloenones with zirconacyclopentadienes, zirconacyclopentenes, or zirconacyclopentanes gave spirocyclic compounds in good yields.