1,5-bis(perfluorooctyl)-3-methylpentan-3-yl phenylacetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,5-bis(perfluorooctyl)-3-methylpentan-3-yl phenylacetate
• 英文别名: (1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-Tetratriacontafluoro-11-methylhenicosan-11-yl) 2-phenylacetate；(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluoro-11-methylhenicosan-11-yl) 2-phenylacetate
• 化学式: C₃₀H₁₈F₃₄O₂
• 分子量: 1056.42
• InChiKey: CSZOJLMLVVXVLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  66
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  36

反应信息

• 作为反应物：
  描述：

  1,5-bis(perfluorooctyl)-3-methylpentan-3-yl phenylacetate 在 三氟乙酸 作用下， 反应 15.0h， 以100%的产率得到苯乙酸
  参考文献：
  名称：

  Fluorinated Analogues of tert-Butyl Alcohol as Novel Protecting Groups for Use in Fluorous Synthesis

  摘要：

  [GRAPHICS]A series of fluorous derivatives of tert-butyl alcohol were prepared and evaluated as reagents for the protection of carboxylic acids for use in fluorous synthesis. Alcohol 3b can be employed efficiently to protect and immobilize medium-size nonpolar carboxylic acids in a fluorous phase.

  DOI：

  10.1021/ol0166505
• 作为产物：
  描述：

  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟-10-碘庚烷 在 4-二甲氨基吡啶 、 magnesium 、 达卡巴嗪 作用下， 以 乙醚 为溶剂， 反应 21.5h， 生成 1,5-bis(perfluorooctyl)-3-methylpentan-3-yl phenylacetate
  参考文献：
  名称：

  Fluorinated Analogues of tert-Butyl Alcohol as Novel Protecting Groups for Use in Fluorous Synthesis

  摘要：

  [GRAPHICS]A series of fluorous derivatives of tert-butyl alcohol were prepared and evaluated as reagents for the protection of carboxylic acids for use in fluorous synthesis. Alcohol 3b can be employed efficiently to protect and immobilize medium-size nonpolar carboxylic acids in a fluorous phase.

  DOI：

  10.1021/ol0166505

文献信息

• Fluorinated Analogues of <i>tert</i>-Butyl Alcohol as Novel Protecting Groups for Use in Fluorous Synthesis
  作者：Juan Pardo、Agustín Cobas、Enrique Guitián、Luis Castedo

  DOI：10.1021/ol0166505

  日期：2001.11.1

  [GRAPHICS]A series of fluorous derivatives of tert-butyl alcohol were prepared and evaluated as reagents for the protection of carboxylic acids for use in fluorous synthesis. Alcohol 3b can be employed efficiently to protect and immobilize medium-size nonpolar carboxylic acids in a fluorous phase.