尼可地尔杂质17 | 207571-58-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 尼可地尔杂质17
• 英文名称: 2-nitroxyethyl nicotinate
• 英文别名: 2-nitrooxyethyl pyridine-3-carboxylate
• CAS: 207571-58-2
• 化学式: C₈H₈N₂O₅
• 分子量: 212.162
• InChiKey: WGHHXOKCKNOHEG-UHFFFAOYSA-N

物化性质

• 沸点：
  330.4±22.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  尼可地尔杂质17 、 palladium dichloride 以 乙醇 、 水 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of 2-nitroxyethyl nicotinate and its complex with PdCl2

  摘要：

  The reaction of nicotinoyl chloride with ethylene glycol mononitrate yielded the previously unknown 2-nitroxyethyl nicotinate. The resulting ester was used as a ligand in the reaction with PdCl2 for preparing a new complex, trans-bis(2-nitroxyethyl nicotinate-N)dichloropalladium(II). The structures of the ligand and the complex were established by X-ray structural analysis.

  DOI：

  10.1007/bf02495664
• 作为产物：
  描述：

  烟酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 尼可地尔杂质17
  参考文献：
  名称：

  Synthesis and crystal structure of 2-nitroxyethyl nicotinate and its complex with PdCl2

  摘要：

  The reaction of nicotinoyl chloride with ethylene glycol mononitrate yielded the previously unknown 2-nitroxyethyl nicotinate. The resulting ester was used as a ligand in the reaction with PdCl2 for preparing a new complex, trans-bis(2-nitroxyethyl nicotinate-N)dichloropalladium(II). The structures of the ligand and the complex were established by X-ray structural analysis.

  DOI：

  10.1007/bf02495664

文献信息

• Synthesis and crystal structure of 2-nitroxyethyl nicotinate and its complex with PdCl2
  作者：B. S. Fedorov、N. I. Golovina、M. A. Fadeev、A. B. Eremeev、V. V. Arakcheeva、G. V. Strukov、V. V. Kedrov、G. V. Shilov、R. F. Trofimova、L. O. Atovmyan

  DOI：10.1007/bf02495664

  日期：1998.3

  The reaction of nicotinoyl chloride with ethylene glycol mononitrate yielded the previously unknown 2-nitroxyethyl nicotinate. The resulting ester was used as a ligand in the reaction with PdCl2 for preparing a new complex, trans-bis(2-nitroxyethyl nicotinate-N)dichloropalladium(II). The structures of the ligand and the complex were established by X-ray structural analysis.