4-(2-hydroxyethyloxy)-4-methoxy-3-octyl-cyclopent-2-en-1-one | 357940-82-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-hydroxyethyloxy)-4-methoxy-3-octyl-cyclopent-2-en-1-one
• 英文别名: 4-(2-hydroxyethyloxy)-4-methoxy-3-octyl-2-cyclopentenone；Gnuovzollxekjz-uhfffaoysa-；4-(2-hydroxyethoxy)-4-methoxy-3-octylcyclopent-2-en-1-one
• CAS: 357940-82-0
• 化学式: C₁₆H₂₈O₄
• 分子量: 284.396
• InChiKey: GNUOVZOLLXEKJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-hydroxyethyloxy)-4-methoxy-3-octyl-cyclopent-2-en-1-one 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 以72%的产率得到4-hydroxy-2-octyl-2-cyclopentenone
  参考文献：
  名称：

  摘要：

  The title compound was synthesized by AdNE addition of II-octyl cuprate to 2,3-dichloro-4,4-ethylcnedioxy-2-cyclopentenone, followed by alcoholysis and reduction with NaBH4.

  DOI：

  10.1023/a:1012398006013
• 作为产物：
  描述：

  8,9-二氯-1,4-二氧杂螺[4.4]壬-8-烯-7-酮 在 copper(l) iodide 、 氯化铵 、 锌 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.5h， 生成 4-(2-hydroxyethyloxy)-4-methoxy-3-octyl-cyclopent-2-en-1-one
  参考文献：
  名称：

  摘要：

  The title compound was synthesized by AdNE addition of II-octyl cuprate to 2,3-dichloro-4,4-ethylcnedioxy-2-cyclopentenone, followed by alcoholysis and reduction with NaBH4.

  DOI：

  10.1023/a:1012398006013

文献信息

• ——
  作者：R.R. Akhmetvaleev、G.M. Baibulatova、G.A. Shavaleeva、M.S. Miftakhov

  DOI：10.1023/a:1012335114190

  日期：——

  Reaction of a number of 3-N-, O-, S-, Cl-, and alkyl-substituted 2-chloro-4,4-ethylenedioxycyclopent-2-en-1-ones with Zn in NH4Cl-MeOH medium were investigated. The expected or partially transformed dehydrochlorination products were isolated. An exclusive chemical stability of 3N-containing cyclopentenones was disclosed. This phenomenon was understood as originating from stabilizing n-d-p-interaction of electrons belonging to heteroatoms in the planar C ' (O)-C-2(Cl)-C-3(N) fragment contained in the molecules of the compounds.
• ——
  作者：R. R. Akhmetvaleev、G. M. Baibulatova、L. R. Imaeva、M. S. Miftakhov

  DOI：10.1023/a:1012398006013

  日期：——

  The title compound was synthesized by AdNE addition of II-octyl cuprate to 2,3-dichloro-4,4-ethylcnedioxy-2-cyclopentenone, followed by alcoholysis and reduction with NaBH4.

表征谱图