cis-3,5-Diphenyl-Δ²-isoxazolin-carbonsaeure-(4)-aethylester

• 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: cis-3,5-Diphenyl-Δ²-isoxazolin-carbonsaeure-(4)-aethylester
• 英文别名: trans-3,5-Diphenyl-Δ²-isoxazolin-carbonsaeure-(4)-aethylester；trans-3.5-Diphenyl-4-carbaethoxy-Δ2-isoxazolin；trans-4-Carbethoxy-3,5-diphenyl-Δ²-isoxazolin；3,5t-diphenyl-4,5-dihydro-isoxazole-4r-carboxylic acid ethyl ester；(+/-)-3,5t-Diphenyl-4,5-dihydro-isoxazol-4r-carbonsaeure-aethylester；Uchvmebzyvylks-wbvhzdcisa-；ethyl (4R,5R)-3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
• 化学式: C₁₈H₁₇NO₃
• 分子量: 295.338
• InChiKey: UCHVMEBZYVYLKS-WBVHZDCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cis-3,5-Diphenyl-Δ²-isoxazolin-carbonsaeure-(4)-aethylester 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 生成 ethyl 3,5-diphenylisoxazole-4-carboxylate
  参考文献：
  名称：

  Stagno d'Alcontres,G.; Lo Vecchio,G., Gazzetta Chimica Italiana, 1960, vol. 90, p. 347 - 355

  摘要：

  DOI：
• 作为产物：
  描述：

  potassium salt of phenyldinitromethane 以40%的产率得到
  参考文献：
  名称：

  RAHMAN A.; CLAPP L. B., J. ORG. CHEM. , 1976, 41, NO 1, 122-125

  摘要：

  DOI：

文献信息

• Ionic Liquids: Just Molten Salts After All?
  作者：Hon Man Yau、Si Jia Chan、Stephen George、James Hook、Anna Croft、Jason Harper

  DOI：10.3390/molecules14072521

  日期：——

  recent years to characterise ionic liquids in terms of parameters that are well described for molecular solvents, using these to explain reaction outcomes remains problematic. Herein we propose that many reaction outcomes in ionic liquids may be explained by considering the electrostatic interactions present in the solution; that is, by recognising that ionic liquids are salts. This is supported by evidence

  尽管近年来已经做出了很多努力来根据分子溶剂充分描述的参数来表征离子液体，但使用这些参数来解释反应结果仍然存在问题。在此，我们提出离子液体中的许多反应结果可以通过考虑溶液中存在的静电相互作用来解释；也就是说，通过认识到离子液体是盐。这得到了文献中的证据以及此处介绍的研究的支持。
• Gruenanger et al., Rendiconti - Istituto Lombardo Accademia di Scienze e Lettere, A: Scienze Matematiche, Fisiche, Chimiche e Geologiche, 1959, vol. <A> 93, p. 467,483, 484
  作者：Gruenanger et al.

  DOI：——

  日期：——
• Monforte, Gazzetta Chimica Italiana, 1952, vol. 82, p. 130,137
  作者：Monforte

  DOI：——

  日期：——
• Thermal decomposition of the potassium salts of dinitroalkanes
  作者：Abdur Rahman、Leallyn B. Clapp

  DOI：10.1021/jo00863a027

  日期：1976.1
• The effect of ionic liquids on the outcome of nitrile oxide cycloadditions
  作者：Camille E. Rosella、Jason B. Harper

  DOI：10.1016/j.tetlet.2008.12.045

  日期：2009.3

  Nitrile oxide cycloadditions between benzonitrile oxide and a series of alkenes were investigated in ionic liquids and molecular solvents. The regioselectivity of the process alters on changing solvent type, with the steric requirements of the reaction being increased in ionic liquids. The rate of the cycloaddition process was found to be faster in ionic liquid solvents, and a concomitant increase in the rate of dimerisation of the nitrile oxide starting material was also observed. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.