2,4,4,5,5,5-hexafluoro-3-oxo-valeric acid ethyl ester | 1513-61-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2,4,4,5,5,5-hexafluoro-3-oxo-valeric acid ethyl ester
• 英文别名: 2,4,4,5,5,5-Hexafluor-3-oxo-valeriansaeure-aethylester；Ethyl 2,4,4,5,5,5-hexafluoro-3-oxopentanoate
• CAS: 1513-61-7
• 化学式: C₇H₆F₆O₃
• 分子量: 252.113
• InChiKey: OZJJJJWONGATBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,4,4,5,5,5-hexafluoro-3-oxo-valeric acid ethyl ester 在 氢溴酸 、 溶剂黄146 作用下， 生成 5-fluoro-6-pentafluoroethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Source regions and timescales for the delivery of water to the Earth

  摘要：

  Abstract—In the primordial solar system, the most plausible sources of the water accreted by the Earth were in the outer asteroid belt, in the giant planet regions, and in the Kuiper Belt. We investigate the implications on the origin of Earth's water of dynamical models of primordial evolution of solar system bodies and check them with respect to chemical constraints. We find that it is plausible that the Earth accreted water all along its formation, from the early phases when the solar nebula was still present to the late stages of gas‐free sweepup of scattered planetesimals. Asteroids and the comets from the Jupiter‐Saturn region were the first water deliverers, when the Earth was less than half its present mass. The bulk of the water presently on Earth was carried by a few planetary embryos, originally formed in the outer asteroid belt and accreted by the Earth at the final stage of its formation. Finally, a late veneer, accounting for at most 10% of the present water mass, occurred due to comets from the Uranus‐Neptune region and from the Kuiper Belt. The net result of accretion from these several reservoirs is that the water on Earth had essentially the D/H ratio typical of the water condensed in the outer asteroid belt. This is in agreement with the observation that the D/H ratio in the oceans is very close to the mean value of the D/H ratio of the water inclusions in carbonaceous chondrites.

  DOI：

  10.1111/j.1945-5100.2000.tb01518.x
• 作为产物：
  描述：

  氟乙酸乙酯 、 五氟丙酸乙酯 在 乙醚 、 sodium hydride 作用下， 生成 2,4,4,5,5,5-hexafluoro-3-oxo-valeric acid ethyl ester
  参考文献：
  名称：

  Source regions and timescales for the delivery of water to the Earth

  摘要：

  Abstract—In the primordial solar system, the most plausible sources of the water accreted by the Earth were in the outer asteroid belt, in the giant planet regions, and in the Kuiper Belt. We investigate the implications on the origin of Earth's water of dynamical models of primordial evolution of solar system bodies and check them with respect to chemical constraints. We find that it is plausible that the Earth accreted water all along its formation, from the early phases when the solar nebula was still present to the late stages of gas‐free sweepup of scattered planetesimals. Asteroids and the comets from the Jupiter‐Saturn region were the first water deliverers, when the Earth was less than half its present mass. The bulk of the water presently on Earth was carried by a few planetary embryos, originally formed in the outer asteroid belt and accreted by the Earth at the final stage of its formation. Finally, a late veneer, accounting for at most 10% of the present water mass, occurred due to comets from the Uranus‐Neptune region and from the Kuiper Belt. The net result of accretion from these several reservoirs is that the water on Earth had essentially the D/H ratio typical of the water condensed in the outer asteroid belt. This is in agreement with the observation that the D/H ratio in the oceans is very close to the mean value of the D/H ratio of the water inclusions in carbonaceous chondrites.

  DOI：

  10.1111/j.1945-5100.2000.tb01518.x

文献信息

• Cascade Knoevenagel and aza-Wittig reactions for the synthesis of substituted quinolines and quinolin-4-ols
  作者：Xiaofeng Zhang、Xiaoming Ma、Weiqi Qiu、Jason Evans、Wei Zhang

  DOI：10.1039/c8gc03180k

  日期：——

  A [4 + 2] annulation involving cascade Knoevenagel, aza-Wittig and dehydrofluorination reactions is developed for the synthesis of substituted quinolin-4-ols including analogs bearing CF2H, CF3, and C2F5 groups. This simple and highly efficient method is also applicable for the synthesis of substituted quinolines. A number of reported biologically active compounds can be readily prepared by this one-pot

  开发了一种包括级联Knoevenagel，aza-Wittig和脱氟化氢反应的[4 + 2]环合反应，用于合成取代的喹啉-4-醇，包括带有CF 2 H，CF 3和C 2 F 5基团的类似物。这种简单而高效的方法也适用于取代喹啉的合成。通过一锅法合成可以容易地制备许多报道的生物活性化合物。新反应过程的绿色化学指标分析提供了令人满意的结果。