(2E,4E,6E,8E,10E,12E)-13-(4-hexyloxy-3-methoxyphenyl)-3,7,11-trimethyl-trideca-2,4,6,8,10,12-hexaenal | 680575-27-3

• 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: (2E,4E,6E,8E,10E,12E)-13-(4-hexyloxy-3-methoxyphenyl)-3,7,11-trimethyl-trideca-2,4,6,8,10,12-hexaenal
• 英文别名: (2E,4E,6E,8E,10E,12E)-13-(4-hexoxy-3-methoxyphenyl)-3,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
• CAS: 680575-27-3
• 化学式: C₂₉H₃₈O₃
• 分子量: 434.619
• InChiKey: IIPDTSZJILKYRN-SDJSDUHBSA-N

物化性质

• 沸点：
  601.3±35.0 °C(Predicted)
• 密度：
  0.987±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2E,4E,6E,8E,10E,12E)-13-(4-hexyloxy-3-methoxyphenyl)-3,7,11-trimethyl-trideca-2,4,6,8,10,12-hexaenal 在 camphor-10-sulfonic acid 、 zinc(II) chloride 作用下， 以 乙醚 为溶剂， 反应 36.0h， 生成 (2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hexyloxy-3-methoxyphenyl)-3,7,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal
  参考文献：
  名称：

  O-Trimethylsilylenol ethers as versatile building blocks in a modular preparation of polyenic backbone

  摘要：

  Versatility and synthetic potential of 1-(trimethylsilyloxy)-1,3-butadiene, 1-(trimethylsilyloxy)penta-1,3-diene, and their methyl substituted derivatives have been demonstrated in a modular synthetic methodology of stereodefined pi-conjugated unsymmetrical, symmetrical two-dimensional, and octupolar polyenal structure. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.008
• 作为产物：
  描述：

  (E)-trimethyl((3-methylbuta-1,3-dien-1-yl)oxy)silane 在 camphor-10-sulfonic acid 、 zinc(II) chloride 作用下， 以 乙醚 为溶剂， 反应 72.0h， 生成 (2E,4E,6E,8E,10E,12E)-13-(4-hexyloxy-3-methoxyphenyl)-3,7,11-trimethyl-trideca-2,4,6,8,10,12-hexaenal
  参考文献：
  名称：

  O-Trimethylsilylenol ethers as versatile building blocks in a modular preparation of polyenic backbone

  摘要：

  Versatility and synthetic potential of 1-(trimethylsilyloxy)-1,3-butadiene, 1-(trimethylsilyloxy)penta-1,3-diene, and their methyl substituted derivatives have been demonstrated in a modular synthetic methodology of stereodefined pi-conjugated unsymmetrical, symmetrical two-dimensional, and octupolar polyenal structure. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.008

文献信息

• O-Trimethylsilylenol ethers as versatile building blocks in a modular preparation of polyenic backbone
  作者：Beata W Domagalska、Ludwik Syper、Kazimiera A Wilk

  DOI：10.1016/j.tet.2003.12.008

  日期：2004.2

  Versatility and synthetic potential of 1-(trimethylsilyloxy)-1,3-butadiene, 1-(trimethylsilyloxy)penta-1,3-diene, and their methyl substituted derivatives have been demonstrated in a modular synthetic methodology of stereodefined pi-conjugated unsymmetrical, symmetrical two-dimensional, and octupolar polyenal structure. (C) 2004 Elsevier Ltd. All rights reserved.