4-(3-cyclopentylpropanoyl)-3-methyl-1-phenylpyrazol-5-one | 185803-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 4-(3-cyclopentylpropanoyl)-3-methyl-1-phenylpyrazol-5-one
• 英文别名: 1-phenyl-3-methyl-4-cyclopentylpropionyl-pyrazol-5-one；4-(3-cyclopentylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
• CAS: 185803-94-5
• 化学式: C₁₈H₂₂N₂O₂
• 分子量: 298.385
• InChiKey: SNQVIQSAWFJDQD-UHFFFAOYSA-N

物化性质

• 熔点：
  77-78 °C
• 沸点：
  481.4±38.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  水 、 乙醇 、 terbium(III) nitrate hexahydrate 、 4-(3-cyclopentylpropanoyl)-3-methyl-1-phenylpyrazol-5-one 在 KOH 作用下， 以 乙醇 为溶剂， 生成 [Tb(1-phenyl-3-methyl-4-cyclopentylpropionyl-pyrazol-5-one(1-))3(H2O)(EtOH)]
  参考文献：
  名称：

  The role of reaction medium on the coordination environment of terbium in complexes with 4-acylpyrazol-5-ones

  摘要：

  [Tb(Q)(3)(H2O)] and [Tb(Q)(3)(H2O)(EtOH)] derivatives of novel 1-phenyl-3-methyl-4-R-pyrazol-5-one (HQ = HQ(CP): R = cyclopentylcarbonyl, HQ(ETCP): R = cyclopentylpropionyl) have been prepared and shown to be seven- and eight-coordinate, respectively, by IR, X-ray and elemental analyses. The role of the reaction medium on the coordination number of Tb is discussed. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2003.08.028

文献信息

• The role of reaction medium on the coordination environment of terbium in complexes with 4-acylpyrazol-5-ones
  作者：Claudio Pettinari、Riccardo Pettinari、Fabio Marchetti、Andrey Drozdov、Ivan Timokhin、Sergey Semenov、Sergey I. Troyanov

  DOI：10.1016/j.inoche.2003.08.028

  日期：2003.12

  [Tb(Q)(3)(H2O)] and [Tb(Q)(3)(H2O)(EtOH)] derivatives of novel 1-phenyl-3-methyl-4-R-pyrazol-5-one (HQ = HQ(CP): R = cyclopentylcarbonyl, HQ(ETCP): R = cyclopentylpropionyl) have been prepared and shown to be seven- and eight-coordinate, respectively, by IR, X-ray and elemental analyses. The role of the reaction medium on the coordination number of Tb is discussed. (C) 2003 Elsevier B.V. All rights reserved.