methyl 3-methoxy-1-methyl-5-oxocyclohex-3-ene-1-carboxylate | 126395-81-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-methoxy-1-methyl-5-oxocyclohex-3-ene-1-carboxylate
• CAS: 126395-81-1
• 化学式: C₁₀H₁₄O₄
• 分子量: 198.219
• InChiKey: XOGAXAOGMBVEQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 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 3-methoxy-1-methyl-5-oxocyclohex-3-ene-1-carboxylate 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 以79%的产率得到methyl 3-hydroxy-1-methyl-5-oxocyclohex-3-enecarboxylate
  参考文献：
  名称：

  Liepa, Andris J.; Wilkie, John S.; Winzenberg, Kevin N., Australian Journal of Chemistry, 1989, vol. 42, # 8, p. 1217 - 1225

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 3,5-二甲氧基-1-甲基环己-2,5-二烯-1-羧酸 在 硫酸 作用下， 反应 48.0h， 以64%的产率得到methyl 3-methoxy-1-methyl-5-oxocyclohex-3-ene-1-carboxylate
  参考文献：
  名称：

  Liepa, Andris J.; Wilkie, John S.; Winzenberg, Kevin N., Australian Journal of Chemistry, 1989, vol. 42, # 8, p. 1217 - 1225

  摘要：

  DOI：

文献信息

• Synthesis and structural revision of annuionone A
  作者：Hirosato Takikawa、Kazuhiko Isono、Mitsuru Sasaki、Francisco A. Macı́as

  DOI：10.1016/s0040-4039(03)01782-9

  日期：2003.9

  Annuionones (1-5), allelopathic agents isolated from Helianthus annus (sunflower), were reported to be ionone-type bisnorsesquiterepenes. However, the proposed structures for annuionones A (1), B (2) and E (5) were thought to be incorrect. Thus, we have tentatively proposed a revised structure (6) for annuionone A based on careful re-analyses of the reported spectral data. The synthesis of (+/-)-6 was accomplished to prove the structure of natural annuionone A as 6. (C) 2003 Elsevier Ltd. All rights reserved.
• Synthesis and absolute configuration of annuionone A
  作者：Hirosato Takikawa、Makiko Tobe、Kazuhiko Isono、Mitsuru Sasaki

  DOI：10.1016/j.tet.2005.07.017

  日期：2005.9

  Synthesis of both enantiomers of annuionone A (1), an allelopathic agent isolated from Helianthus annuus (sunflower), was accomplished. The absolute configuration of the naturally occurring I was determined to be IS,5R,8R. (c) 2005 Elsevier Ltd. All rights reserved.
• Liepa, Andris J.; Wilkie, John S.; Winzenberg, Kevin N., Australian Journal of Chemistry, 1989, vol. 42, # 8, p. 1217 - 1225
  作者：Liepa, Andris J.、Wilkie, John S.、Winzenberg, Kevin N.

  DOI：——

  日期：——