(E)-pseudoisoeugenyl 2-methylbutyrate | 58989-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (E)-pseudoisoeugenyl 2-methylbutyrate
• 英文别名: trans-pseudoisoeugenyl 2-methylbutyrate；Pseudoisoeugenol 2-methylbutanoate；[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate
• CAS: 58989-20-1
• 化学式: C₁₅H₂₀O₃
• 分子量: 248.322
• InChiKey: YARRWVYKHJNVHX-FNORWQNLSA-N

物化性质

• 沸点：
  357.3±35.0 °C(Predicted)
• 密度：
  1.026±0.06 g/cm3(Predicted)
• 保留指数：
  1845.5;1822.2

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  (E)-pseudoisoeugenyl 2-methylbutyrate 在 臭氧 作用下， 生成
  参考文献：
  名称：

  4-Methoxy-2-(trans-1-propenyl)phenyl (±)-2-methylbutanoate from anise plants

  摘要：

  DOI：

  10.1016/0031-9422(77)80036-8
• 作为产物：
  描述：

  2-烯丙基-4-甲氧基苯酚 在 吡啶 、 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (E)-pseudoisoeugenyl 2-methylbutyrate
  参考文献：
  名称：

  Essential oils from hairy root cultures and from fruits and roots of Pimpinella anisum

  摘要：

  Hairy root cultures of Pimpinella anisum were established following inoculation of aseptically grown plantlets with an A(4) pRiA(4) 70 GUS strain of Agrobacterium rhizogenes. The essential oils from the hairy roots, maintained in four different media, and from the fruits and roots of the parent plant were analysed and their compositions compared by GC and GC-mass spectrometry. The major components of the essential oils from the hairy root cultures were trans-epoxypseudoisoeugenyl 2-methylbutyrate, geijerene, pregeijerene, zingiberene and beta-bisabolene, in varying amounts depending on the light or dark growth conditions and on the culture media tested. trans-Epoxypseudoisoeugenyl 2-methylbutyrate, beta-bisabolene and pregeijerene were the major components of the essential oil from the roots of the parent plant, whereas the main component of the fruit oil was trans-anethole. Geijerenes were not detected in the fruit oil. The essential oil yield of the transformed roots grown in one of the media was comparable with that obtained for the roots of the parent plant and, calculated on a dry weight basis, the oil yield of these hairy roots was comparable with that of the fruits. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00022-3

文献信息

• [DE] TRANSMUCOSALE UND TRANSDERMALE ARZNEIMITTEL MIT VERBESSERTER WIRKSTOFFRESORPTION<br/>[EN] TRANSMUCOSAL AND TRANSDERMAL MEDICAMENTS WITH AN IMPROVED ACTIVE INGREDIENT ABSORPTION<br/>[FR] MEDICAMENTS POUR ADMINISTRATION PAR VOIE TRANSMUQUEUSE OU TRANSDERMIQUE A RESORPTION DE PRINCIPES ACTIFS AMELIOREE
  申请人：LOHMANN THERAPIE SYST LTS

  公开号：WO2004052347A1

  公开（公告）日：2004-06-24

  Arzneimittel zur transmucosalen oder transdermalen Verabreichung von Wirkstoffen sind dadurch gekennzeichnet, dass sie zur Verbesserung der Wirkstoffresorption mindestens einen Stoff aus der Gruppe der Monoterpene und mindestens einen Stoff aus der Gruppe der Polyalkohole enthalten.
• Essential oils from hairy root cultures and from fruits and roots of Pimpinella anisum
  作者：Paula M. Santos、A.Cristina Figueiredo、M.Margarida Oliveira、JoséG. Barroso、Luis G. Pedro、Stanley G. Deans、A.K.M. Younus、Johannes J.C. Scheffer

  DOI：10.1016/s0031-9422(98)00022-3

  日期：1998.6

  Hairy root cultures of Pimpinella anisum were established following inoculation of aseptically grown plantlets with an A(4) pRiA(4) 70 GUS strain of Agrobacterium rhizogenes. The essential oils from the hairy roots, maintained in four different media, and from the fruits and roots of the parent plant were analysed and their compositions compared by GC and GC-mass spectrometry. The major components of the essential oils from the hairy root cultures were trans-epoxypseudoisoeugenyl 2-methylbutyrate, geijerene, pregeijerene, zingiberene and beta-bisabolene, in varying amounts depending on the light or dark growth conditions and on the culture media tested. trans-Epoxypseudoisoeugenyl 2-methylbutyrate, beta-bisabolene and pregeijerene were the major components of the essential oil from the roots of the parent plant, whereas the main component of the fruit oil was trans-anethole. Geijerenes were not detected in the fruit oil. The essential oil yield of the transformed roots grown in one of the media was comparable with that obtained for the roots of the parent plant and, calculated on a dry weight basis, the oil yield of these hairy roots was comparable with that of the fruits. (C) 1998 Elsevier Science Ltd. All rights reserved.
• 4-Methoxy-2-(trans-1-propenyl)phenyl (±)-2-methylbutanoate from anise plants
  作者：G.T. Carter、H.K. Schnoes、E.P. Lichtenstein

  DOI：10.1016/0031-9422(77)80036-8

  日期：1977.1