2-methoxy-4-(2-propenylidene)-2,5-cyclohexadien-1-one, Z-isomer | 129664-76-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methoxy-4-(2-propenylidene)-2,5-cyclohexadien-1-one, Z-isomer
• 英文别名: Z-2-methoxy-4-(2-propylidene)-2,5-cyclohexadiene-1-one；2-methoxy-4-(2-propenylidene)-2,5-cyclohexadien-1-one；(4Z)-2-methoxy-4-prop-2-enylidenecyclohexa-2,5-dien-1-one
• CAS: 129664-76-2
• 化学式: C₁₀H₁₀O₂
• 分子量: 162.188
• InChiKey: CDFKJSCCQGJMHM-YWEYNIOJSA-N

物化性质

• 沸点：
  320.8±31.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-4-(2-propenylidene)-2,5-cyclohexadien-1-one, Z-isomer 生成 丁香酚
  参考文献：
  名称：

  Synthesis and reactivity of vinyl quinone methides

  摘要：

  DOI：

  10.1021/jo00207a006
• 作为产物：
  描述：

  丁香酚 在 silver(l) oxide 作用下， 以 四氯化碳 为溶剂， 以90%的产率得到2-methoxy-4-(2-propenylidene)-2,5-cyclohexadien-1-one, Z-isomer
  参考文献：
  名称：

  Synthesis and reactivity of vinyl quinone methides

  摘要：

  DOI：

  10.1021/jo00207a006

文献信息

• A theoretical and experimental investigation of Z, E stereoisomerism in some simple lignin p-quinone methides
  作者：Henrik Konschin、Juris Jakobsons、Sergey M. Shevchenko

  DOI：10.1016/0022-2860(90)85017-d

  日期：1990.10
• Shevchenko, S. M.; Semenov, S. G.; Evstigneev, E. I., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 9, p. 1679 - 1688
  作者：Shevchenko, S. M.、Semenov, S. G.、Evstigneev, E. I.、Pranovich, A. V.、Gindin, V. A.

  DOI：——

  日期：——
• SHEVCHENKO, S. M.;APUSHKINSKIJ, A. G.;GINDIN, V. A.;ZARUBIN, M. YA., ZH. ORGAN. XIMII, 25,(1990) N, S. 1069-1075
  作者：SHEVCHENKO, S. M.、APUSHKINSKIJ, A. G.、GINDIN, V. A.、ZARUBIN, M. YA.

  DOI：——

  日期：——
• ZANAROTTI, A., J. ORG. CHEM., 1985, 50, N 7, 941-945
  作者：ZANAROTTI, A.

  DOI：——

  日期：——
• GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA
  申请人：Lewis Norman G.

  公开号：US20100031398A1

  公开（公告）日：2010-02-04

  Particular aspects provide novel methods for redirecting carbon allocation in plants or cell culture from lignification to inherently more useful and tractable materials, and to facilitate the generation of, e.g., biofuels from the remaining plant roculture biomass. Particular aspects provided novel methods for converting monolignols into allyl/propenyl phenols, and for chavicol/eugenol formation or production. Additional aspects relate to the discovery of novel chavicol/eugenol synthases that convert p-coumaryl/coniferyl alcohol esters into chavicol/eugenol, and to novel compositions (e.g., novel proteins and nucleic acids encoding same), and novel methods using same for producing or forming chavicol/eugenol and other derivatives in cell culture and/or genetically modified plants, and for re-engineering the composition of plant biomass. Particular aspects provide novel methods for generation in culture or in planta of liquid/combustible allyl/propenyl phenols, and these phenolic products are utilized for (non-ethanol) biofuel/bioenergy purposes, while the remaining plant biomass facilitates the generation of other biofuels.