dicaprolactamate of barium | 76996-92-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: dicaprolactamate of barium
• 英文别名: barium caprolactamate
• CAS: 76996-92-4；104752-12-7
• 化学式: Ba*2C₆H₁₀NO
• 分子量: 361.633
• InChiKey: XMIRALKLKMPJTE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  35.42
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  己内酰胺 在 barium methoxide 作用下， 以 xylene 为溶剂， 反应 6.0h， 以90%的产率得到dicaprolactamate of barium
  参考文献：
  名称：

  Synthesis of caprolactamates of group II metals

  摘要：

  Caprolactamates of alkaline-earth metals and magnesium of the general formula[GRAPHICS] where M = Mg, Ca, Sr, and Ba, were synthesized from alkoxides, hydrides, and organometallic compounds of these metals and epsilon-caprolactam. The catalytic activities of caprolactamates obtained under conditions of anionic polymerization of epsilon-caprolactam were compared. It was demonstrated that the purest caprolactamates and, hence, the most effective catalysts of anionic polymerization of lactams can be obtained from organometallic and hydride compounds of these metals. The reactivities of alkoxides of the alkaline-earth metals and magnesium increase in metallation reactions of epsilon-caprolactam in the order Mg < Ca < Sr < Ba.

  DOI：

  10.1007/bf00696727

文献信息

• Vibrational spectra and structure of caprolactamates of group II metals
  作者：I. A. Garbuzova、L. A. Chekulaeva、L. B. Danilevskaya、A. V. Markov、V. A. Kotel'nikov、B. V. Lokshin、V. V. Gavrilenko、V. V. Kurashev、I. I. Tverdokhlebova、O. I. Sutkevich

  DOI：10.1007/bf00957851

  日期：1990.7

  Differences between the IR and Raman spectra of the dicaprolactamates of Mg, Ca, and Ba indicate differences in their structures. Barium dicaprolactamate has an ionic structure, while the dicaprolactamates of Mg and Ca are partially covalent and have one-dimensional chain structures with various types of NCO group (terminal, bridge). In solution the dicaprolactamates of Mg and Ca are associated on account of the formation of bridged NCO groups. It was shown that the vibration frequencies of the bridged NCO groups lie in the range 1580-1620 cm-1, and those of the terminal groups in the range 1550-1580 cm-1.
• Synthesis of caprolactamates of group II metals
  作者：L. A. Chekulaeva、V. V. Gavrilenko、T. Yu. Vasll'eva、L. B. Danilevskaya、V. A. Kotel'nikov

  DOI：10.1007/bf00696727

  日期：1995.11

  Caprolactamates of alkaline-earth metals and magnesium of the general formula[GRAPHICS] where M = Mg, Ca, Sr, and Ba, were synthesized from alkoxides, hydrides, and organometallic compounds of these metals and epsilon-caprolactam. The catalytic activities of caprolactamates obtained under conditions of anionic polymerization of epsilon-caprolactam were compared. It was demonstrated that the purest caprolactamates and, hence, the most effective catalysts of anionic polymerization of lactams can be obtained from organometallic and hydride compounds of these metals. The reactivities of alkoxides of the alkaline-earth metals and magnesium increase in metallation reactions of epsilon-caprolactam in the order Mg < Ca < Sr < Ba.