isopropyl 1-(2,5-cyclohexadienyl)vinyl ether | 827615-95-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: isopropyl 1-(2,5-cyclohexadienyl)vinyl ether
• 英文别名: 1,4-Cyclohexadiene, 3-[1-(1-methylethoxy)ethenyl]-；3-(1-propan-2-yloxyethenyl)cyclohexa-1,4-diene
• CAS: 827615-95-2
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: NLHMMRALEIRMBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二氯甲烷 、 isopropyl 2,5-cyclohexadiene-1-carboxylate 在 四氯化钛 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以87%的产率得到isopropyl 1-(2,5-cyclohexadienyl)vinyl ether
  参考文献：
  名称：

  Dichloromethane as an Unusual Methylene Equivalent. A New Entry of Highly Nucleophilic and Selective Titanium−Methylene Complexes for Ester Methylenation

  摘要：

  The successful application of CH2Cl2-Mg-TiCl4-system mediated methylenation of various esters such as tert-butyl ester and 2,5-cyclohexadiene-1-carboxylate highlights the extraordinary reactivity, selectivity, and the nonbasic nature of this new methylene-carbenoid, which serves as a practical reagent applicable to large-scale synthesis.

  DOI：

  10.1021/ol047887e

文献信息

• Dichloromethane as an Unusual Methylene Equivalent. A New Entry of Highly Nucleophilic and Selective Titanium−Methylene Complexes for Ester Methylenation
  作者：Tu-Hsin Yan、Ching-Ting Chien、Chia-Chung Tsai、Kuo-Wei Lin、Yen-Hsien Wu

  DOI：10.1021/ol047887e

  日期：2004.12.1

  The successful application of CH2Cl2-Mg-TiCl4-system mediated methylenation of various esters such as tert-butyl ester and 2,5-cyclohexadiene-1-carboxylate highlights the extraordinary reactivity, selectivity, and the nonbasic nature of this new methylene-carbenoid, which serves as a practical reagent applicable to large-scale synthesis.