methyl (4E)-2-methoxycarbonyl-4-methylhepta-4,6-dienoate | 207126-85-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (4E)-2-methoxycarbonyl-4-methylhepta-4,6-dienoate
• 英文别名: dimethyl 2-[(2E)-2-methylpenta-2,4-dienyl]propanedioate
• CAS: 207126-85-0
• 化学式: C₁₁H₁₆O₄
• 分子量: 212.246
• InChiKey: UJUOPLGCBWRRTH-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (4E)-2-methoxycarbonyl-4-methylhepta-4,6-dienoate 在 copper(l) iodide 、 四(三苯基膦)钯 、 sodium hydride 、 cesium fluoride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 6.67h， 生成 (3E,8E)-6,6-dimethoxycarbonyl-2,4,8-trimethylundeca-1,3,8,10-tetraene
  参考文献：
  名称：

  A novel non-metathetic behavior of Grubbs catalyst: Ruthenium-mediated intramolecular [3 + 2] cycloaddition of bis-1,3-dienes

  摘要：

  A ruthenium-mediated intramolecular [3 + 2] cycloaddition of bis-1,3-dienes to give bicyclic products, which is a novel non-metathetic behavior of Grubbs catalyst, is reported. The formation of a ruthenium-olefin complex is proposed to be a key step for the success of the reaction. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.09.004
• 作为产物：
  描述：

  (E)-2-methylpenta-2,4-dien-1-ol 、 丙二酸二甲酯 在 正丁基锂 、 甲基磺酰氯 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.67h， 以28%的产率得到methyl (4E)-2-methoxycarbonyl-4-methylhepta-4,6-dienoate
  参考文献：
  名称：

  A novel non-metathetic behavior of Grubbs catalyst: Ruthenium-mediated intramolecular [3 + 2] cycloaddition of bis-1,3-dienes

  摘要：

  A ruthenium-mediated intramolecular [3 + 2] cycloaddition of bis-1,3-dienes to give bicyclic products, which is a novel non-metathetic behavior of Grubbs catalyst, is reported. The formation of a ruthenium-olefin complex is proposed to be a key step for the success of the reaction. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.09.004

文献信息

• A novel non-metathetic behavior of Grubbs catalyst: Ruthenium-mediated intramolecular [3 + 2] cycloaddition of bis-1,3-dienes
  作者：Ryukichi Takagi、Koumei Yamamoto、Yoshikazu Hiraga、Satoshi Kojima、Manabu Abe

  DOI：10.1016/j.jorganchem.2012.09.004

  日期：2013.1

  A ruthenium-mediated intramolecular [3 + 2] cycloaddition of bis-1,3-dienes to give bicyclic products, which is a novel non-metathetic behavior of Grubbs catalyst, is reported. The formation of a ruthenium-olefin complex is proposed to be a key step for the success of the reaction. (C) 2012 Elsevier B.V. All rights reserved.