(E)-3,7-dimethylocta-2,6-dien-1-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3,7-dimethylocta-2,6-dien-1-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
• 英文别名: Geranyl ferulate；[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• 化学式: C₂₀H₂₆O₄
• 分子量: 330.424
• InChiKey: KSRDJVKWHDQVBQ-TWGDSDBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  阿魏酸 、 香叶醇 在 碘 、 三苯基膦 、 gadolinium(III) trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 0.67h， 以10%的产率得到(E)-3,7-dimethylocta-2,6-dien-1-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
  参考文献：
  名称：

  Gd(OTf)₃-catalyzed synthesis of geranyl esters for the intramolecular radical cyclization of their epoxides mediated by titanocene(iii)

  摘要：

  Gd(OTf)₃对于直接酯化莰醇以及通过钛茂(iii)介导的它们环氧化物的区域和立体控制自由基环化反应的催化活性被描述。

  DOI：

  10.1039/c4ob02312a

文献信息

• TOPICAL ANTIVIRAL COMPOSITIONS
  申请人：Topical Remedy, LLC

  公开号：EP3344265A1

  公开（公告）日：2018-07-11
• [EN] TOPICAL ANTIVIRAL COMPOSITIONS<br/>[FR] COMPOSITIONS ANTIVIRALES TOPIQUES
  申请人：TOPICAL REMEDY LLC

  公开号：WO2017040844A1

  公开（公告）日：2017-03-09

  In various embodiments compositions that inactivates a virus or inhibit replication of a virus are provided where the compositions comprise a C1-C10 alcohol; an acid selected from the group consisting of gallic acid, methyl gallate, 3, 4-dihydroxy benzoic acid, p-hydroxy benzoic acid, vanillic acid, p-coumaric acid, ferulic acid, syringic acid, salicylic acid, luteic acid, and eudesmic acid; and a pharmaceutically acceptable carrier; where the pH of said composition is pH 4.5 or lower. In certain embodiments the alcohol comprises one or more alcohols selected from the group consisting of ethanol, ethanol, 2-propanol, 1-propanol, 2,3-butanediol, 1,2-butanediol, 1,3-butanediol, and 1,4-butanediol, butyl alcohol (including n-butanol, sec-butanol, isobutanol, tert-butanol), pentanol, hexadecan-1-ol, ethane-1,2-diol, propane-1,2-diol, propane-1,2,3-triol, butane-1,2,3,4-tetraol, pentane-1,2,3,4,5-pentol, hexane-1,2,3,4,5,6-hexol, heptane-1,2,3,4,5,6,7-heptol, prop-2-ene-1-ol, 3,7-dimethylocta-2,6-dien-1-ol, prop-2-in-1-ol, cyclohexane-1,2,3,4,5,6-hexol, and 2-(2-propyl)-5-methyl-cyclohexane-1-ol.
• Gd(OTf)₃-catalyzed synthesis of geranyl esters for the intramolecular radical cyclization of their epoxides mediated by titanocene(<scp>iii</scp>)
  作者：William H. García Santos、Carlos E. Puerto Galvis、Vladimir V. Kouznetsov

  DOI：10.1039/c4ob02312a

  日期：——

  The catalytic activity of Gd(OTf)₃ for the direct esterification of geraniol and the regio- and stereo-controlled radical cyclization of their epoxides mediated by titanocene(iii) is described.

  Gd(OTf)₃对于直接酯化莰醇以及通过钛茂(iii)介导的它们环氧化物的区域和立体控制自由基环化反应的催化活性被描述。