5-chlorohex-5-en-2-yn-1-ol | 171004-49-2

• 分子结构分类: 有机化合物 - 乙炔化物
• 英文名称: 5-chlorohex-5-en-2-yn-1-ol
• CAS: 171004-49-2
• 化学式: C₆H₇ClO
• 分子量: 130.574
• InChiKey: IKDYYDHGSBDIOK-UHFFFAOYSA-N

物化性质

• 沸点：
  188.3±25.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.12
• 重原子数：
  8.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  5,5-二甲氧基-1,2,3,4-四氯环戊二烯 、 5-chlorohex-5-en-2-yn-1-ol 在 对苯二酚 作用下， 反应 10.0h， 以24.8%的产率得到
  参考文献：
  名称：

  摘要：

  Diene condensations of hexachlorocyclopentadiene and 5,5-dimethoxytetrachlorocyclopentadiene were carried out with dienophiles of allylacetylene series. The reaction was demonstrated to proceed stercospecifically yielding adducts of the endo-configuration. The reactivity of functionalized allylacetylene compounds in the diene synthesis with hexachlorocyclopentadiene was studied, and the reaction was established to occur by the type of a "neutral" diene synthesis. It was established that the Faworsky decomposition of polychlorobicyclic alcohols containing in the side chain a triple bond adjacent to a methylene group occurred with acetylene-allene isomerization.

  DOI：

  10.1023/a:1012326912373
• 作为产物：
  描述：

  2,3-二氯丙烯 、 2-丙炔-1-醇 在 copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以68.5%的产率得到5-chlorohex-5-en-2-yn-1-ol
  参考文献：
  名称：

  Allylacetylenes and their derivatives as inhibitors of steel corrosion in sulfuric acid

  摘要：

  New functionalized derivatives of allylacetylenes were prepared, and their ability to inhibit corrosion of St.3 low-carbon steel in 5 N sulfuric acid was studied. The effectiveness of inhibition of steel corrosion was studied in relation to the structure of acetylene derivatives, their concentration, and temperature of acidic medium.

  DOI：

  10.1134/s1070427206110176

文献信息

• Veliev, M. G.; Shatirova, M. I.; Chalabiev, Ch. A., Russian Journal of Organic Chemistry, 1995, vol. 31, # 1.1, p. 52 - 56
  作者：Veliev, M. G.、Shatirova, M. I.、Chalabiev, Ch. A.、Mamedov, I. M.、Mustafaev, A. M.

  DOI：——

  日期：——
• Diene Condensation of Cyclopentadiene with Dienophiles of Allylacetylene Series
  作者：M. G. Veliev、A. Z. Chalabieva、M. I. Shatirova、E. G. Akperova

  DOI：10.1023/b:rujo.0000003159.15212.50

  日期：2003.6

  Diene condensation of cyclopentadiene with 2-substituted allylacetylenes occurs nonselectively at a double and triple bonds; therewith the dienophile activity grows in parallel with the electron-withdrawing properties of the substituent. Depending on electronic character of functional groups the reaction proceeds as ''neutral" diene synthesis. The relative activity of cyclopentadiene and 1,3-cyclohexadiene in reactions with allylacetylenes is essentially governed by the different distance between the 1,4-reactive sites in these systems.
• Veliev; Agaguseinova; Mirzoeva, Russian Journal of General Chemistry, 1998, vol. 68, # 8, p. 1231 - 1234
  作者：Veliev、Agaguseinova、Mirzoeva、Shatirova、Movsumzade

  DOI：——

  日期：——