草酸哌啶 | 92302-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 草酸哌啶
• 英文名称: Oxalic acid; compound with piperidine
• 英文别名: Piperidinium hydrogen oxalate；2-hydroxy-2-oxoacetate;piperidin-1-ium
• CAS: 92302-98-2
• 化学式: C₂H₂O₄*C₅H₁₁N
• 分子量: 175.185
• InChiKey: WLCAJVVSNAVBSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.08
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  草酸哌啶 生成 1-fluoro-2,2-bis-(4-nitrophenyl)-1-piperidinoethene
  参考文献：
  名称：

  LEFFEK K. T.; MACIEJEWSKA U., CAN. J. CHEM., 64,(1986) N 12, 2274-2278

  摘要：

  DOI：
• 作为产物：
  描述：

  哌啶 、 草酸 以 丙酮 为溶剂， 反应 0.5h， 以86%的产率得到草酸哌啶
  参考文献：
  名称：

  Absence of a magnetic interaction in a dinuclear copper complex? The case of a crossed axial–equatorial oxalate coordination mode

  摘要：

  A simple and easy preparation of the hydrogen oxalate ligand (HOOCCOO)(-), with only one deprotonated carboxylic function, is described. C-13 NMR spectroscopy furnishes a straightforward characterization of this interesting ligand. This ligand coordinates in its monodeprotonated form to a Cu-II complex with a free coordination position, yielding a complex that presents a very weak antiferromagnetic interaction. In a subsequent step, the second deprotonation allows the isolation of an oxalato-bridged dinuclear Cu-II complex, which is characterized by structural determination, the copper ions being pentacoordinate in an equivalent centrosymmetry-related environment. DFT calculations show that the magnetic interaction through the oxalato bridge is strictly equal to 0 cm(-1), demonstrating that the singlet and triplet states of this oxalato-bridged dinuclear Cu-II complex have the same energy. This dinuclear complex presents a rhombic EPR spectrum, with three well-defined g values, at room temperature as well as at 100 K. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.06.054

文献信息

• STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES
  申请人：Chou Shan-Yen

  公开号：US20100152452A1

  公开（公告）日：2010-06-17

  This invention relates to dialdehyde or dinitrile compounds, which are useful for stereoselective synthesis of piperidine, pyrrolidine, and azepane derivatives.

  这项发明涉及二醛或二腈化合物，可用于对哌啶、吡咯烷和氮杂环庚烷衍生物进行立体选择性合成。
• Composition for film formation, method of film formation, and silica-based film
  申请人：JSR CORPORATION

  公开号：US20030091838A1

  公开（公告）日：2003-05-15

  A composition for film formation which comprises: (A) a product of hydrolysis and condensation obtained by hydrolyzing and condensing at least one silane compound selected from the group consisting of compounds represented by the formula (1), compounds represented by the formula (2), and compounds represented by the formula (3) in the presence of water and an ammonium compound, and (B) an organic solvent.

  一种用于成膜的组合物，它包括 (A) 至少一种硅烷化合物的水解和缩合产物，该硅烷化合物选自由式（1）、式（2）和式（3）所代表的化合物组成的组，在水和铵化合物存在下水解和缩合得到，以及 (B) 有机溶剂。
• Synthesis, magnetic properties and EPR of μ-oxalatotetrakis(acetylacetonato)diiron(III)
  作者：Miguel Julve、Olivier Kahn

  DOI：10.1016/s0020-1693(00)81450-4

  日期：1983.1
• SANCHEZ, BALLESTEROS, J.;HERNANDEZ, HERNANDEZ, M. D.;MCPHEE, D. J., BOL. SOC. QUIM. PERU, 1982, 48, N 4, 195-205
  作者：SANCHEZ, BALLESTEROS, J.、HERNANDEZ, HERNANDEZ, M. D.、MCPHEE, D. J.

  DOI：——

  日期：——
• LEFFEK K. T.; MACIEJEWSKA U., CAN. J. CHEM., 64,(1986) N 12, 2274-2278
  作者：LEFFEK K. T.、 MACIEJEWSKA U.

  DOI：——

  日期：——