β-Benzoyl-valeriansaeure | 102873-20-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-Benzoyl-valeriansaeure
• 英文别名: 3-benzoyl-valeric acid；3-Benzoyl-valeriansaeure；β-Benzoyl-n-valeriansaeure；3-Benzoylpentanoic acid
• CAS: 102873-20-1
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: HYYFTTXXYXAINP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-Benzoyl-valeriansaeure 在 sodium amalgam 作用下， 生成 4-ethyl-5-phenyl-dihydro-furan-2-one
  参考文献：
  名称：

  Eijkman, Chemisches Zentralblatt, 1904, vol. 75, # I, p. 1258

  摘要：

  DOI：
• 作为产物：
  描述：

  (1-benzoyl-propyl)-malonic acid 生成 β-Benzoyl-valeriansaeure
  参考文献：
  名称：

  Eijkman, Chemisches Zentralblatt, 1904, vol. 75, # I, p. 1258

  摘要：

  DOI：

文献信息

• Puterbaugh; Readshaw, Chemistry and industry, 1959, p. 255
  作者：Puterbaugh、Readshaw

  DOI：——

  日期：——
• Combined use of partially fluorinated alkanes, perfluorocarbon liquids and silicone oil: an experimental study
  作者：Hans Hoerauf、Karin Kobuch、Joachim Dresp、Dirk-Henning Menz

  DOI：10.1007/s004170100264

  日期：2001.6

  Background: Partially fluorinated alkanes (FALKs) are a new class of substances which can be used in vitreoretinal surgery as an intraoperative tool and as a long-term tamponade. The aim of this in vitro study was (1) to investigate the solubility of FALKs in silicone oil during direct exchange, (2) to study their combined use and solubility in PFCLs, (3) to evaluate their lipophilic properties and (4) to investigate the possibility of preparing "heavy silicone oil". Methods: (1) Four different FALKs (F6H6, F6H8, O-44 and O-62) Were directly exchanged with silicone oil (5,000 mPas). The dissolved amount of fluorocarbons in the removed silicone oil was determined by gas chromatography and by gravimetry. Furthermore, the diffusion phenomena during the exchange process were studied. (2) The behaviour of FALKs in PFCLs was investigated and the solubility of the resulting mixtures in silicone oil was measured. (3) The solubility of FALKs and PFCLs in native olive oil was analysed. (4) Different FALKs were added to silicone oil and measurements of the resulting specific gravity and the viscosity were performed. Results: (1) FALKs dissolved in silicone oil up to the following values: F6H6=45 m%, F6H8=54 m%, O-44=100 m%, O-62=18 m%. (2) FALKs dissolved in PFCL, thereby changing the physicochemical properties of PFCL depending on the type of FALK and ratio used. (3) The lipophilic properties of FALKs and PFCLs could be characterized by their dissolution in native olive oil (F6H8=23.4 m%, O-44=16.7 m%, F6H6=12.3 m%, O-62=5.3 m%, PFD=1.1 m%, PFO=0.6 m%). (4) It was possible to prepare "heavy silicone oil" e.g, by adding 30 vol% F6H8, resulting in a specific gravity of 1.08 g/ml, or by adding 80 vol% O-44, resulting in a specific gravity of 1.25 g/ml, but decreasing the viscosity of the mixtures dramatically. Conclusion: (1) If FALKs are used as an intraoperative tool, a direct exchange with silicons oil should be avoided owing to their capacity to dissolve in silicone oil, resulting in a mixture with unpredictable properties. (2) A combined use with PFCLs and silicone oil is possible, if the right ratio is chosen. (3) The solubility of FALKs in native olive oil may be an indicator for their tissue penetration and may render feasible their use as a longterm tamponade. (3) "Heavy silicone oil" preparation using FALKs is possible, but the mixture needs further evaluation in terms of emulsification, mobilization of oligosiloxanes, tissue penetration and long-term stability.
• US4975249A
  申请人：——

  公开号：US4975249A

  公开（公告）日：1990-12-04
• US5082588A
  申请人：——

  公开号：US5082588A

  公开（公告）日：1992-01-21
• US5354496A
  申请人：——

  公开号：US5354496A

  公开（公告）日：1994-10-11