N,N'-1,3-propanediylbispivalamide | 93667-57-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N'-1,3-propanediylbispivalamide
• 英文别名: N,N'-(propane-1,3-diyl)bis(2,2-dimethylpropanamide)；Propanamide, N,N'-1,3-propanediylbis[2,2-dimethyl-；N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide
• CAS: 93667-57-3
• 化学式: C₁₃H₂₆N₂O₂
• mdl: MFCD00957878
• 分子量: 242.362
• InChiKey: RWILRFIHGJCSIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-1,3-propanediylbispivalamide 在 甲基碘化镁 、 五氯化磷 作用下， 以 甲苯 为溶剂， 反应 120.0h， 生成
  参考文献：
  名称：

  双（ami酰胺）和双（胍基）镁复合物：配体主链和桥基对配位行为的影响。

  摘要：

  合成了十个双核双（am）和双（胍）配体的库，其中桥基，末端残基和主链取代基被系统地改变，随后用于使用三种不同镁源的金属化反应中。可以分离出8种Mg络合物并对其进行充分表征，在7种情况下，可以通过单晶X射线衍射分析确定其固态结构。结果证明了通用的协调行为，其范围从第一双核异能碘化镁复合物到双核均能复合物。这些发现表明，配体和镁源不仅对明确定义的双核配合物的可及性，而且对溶液和固态聚集均具有关键性影响。

  DOI：

  10.1039/d0dt01923b
• 作为产物：
  描述：

  三甲基乙酸 、 1,3-丙二胺 生成 N,N'-1,3-propanediylbispivalamide
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• A Priori Phase Prediction of Zeolites:  Case Study of the Structure-Directing Effects in the Synthesis of <b>MTT</b>-Type Zeolites
  作者：Allen W. Burton

  DOI：10.1021/ja070303u

  日期：2007.6.1

  This study first uses molecular modeling to examine the structure-directing effects of small amines that are selective for the crystallization of MTT-type zeolite phases. The optimized van der Waals interactions of these small amines are compared within the one-dimensional pore zeolites with the MTT, TON, and MTW frameworks. From these results and our previous molecular modeling studies of structure-directing

  本研究首先使用分子模型来检查对 MTT 型沸石相的结晶具有选择性的小胺的结构导向作用。这些小胺的优化范德华相互作用在一维孔沸石内与 MTT、TON 和 MTW 框架进行比较。根据这些结果和我们之前对 MTT 型沸石的结构导向剂 (SDA) 的分子建模研究，成功预测大量胺或季铵分子对 MTT 相具有选择性。通过将孔结构的晶体学周期性与这些分子中支化基团中心之间的距离相匹配来选择这些分子。这些分子的长度和支化部分的数量各不相同，其中一些分子是聚合的或低聚的。在支化基团之间的距离不是孔周期的倍数的测试案例中，除了少数例外，这些分子通常不会产生 MTT 相。最后，我们讨论了在本研究中使用一些二胺制备的硼硅酸盐制剂中 MTT 相结晶所需的无机条件。
• Novel aminopropylpivalamides and a method of preparation
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0117882A1

  公开（公告）日：1984-09-12

  3-Aminopropylpivalamide is prepared by contacting pivalic acid with 1,3-diaminopropane at temperatures above the boiling point of 1,3-diaminopropane and the latter is distilled off. The residue may be refluxed to provide 2-t-butyltetrahydro-pyrimidine. In a further step 2-alkylpyrimidines are obtained by dehydrogenation of the tetrahydro-pyrimidines over a supported noble metal catalyst under conditions which do not generate water and in which no water is added.

  在高于 1,3- 二氨基丙烷沸点的温度下，将新戊酸与 1,3- 二氨基丙烷接触，然后蒸馏掉后者，即可制备 3-氨基丙基新戊酰胺。残留物经回流可得到 2-t-丁基四氢嘧啶。下一步，在不产生水和不加水的条件下，在支撑贵金属催化剂上对四氢嘧啶进行脱氢反应，得到 2-烷基嘧啶。
• Method of preparation of 2-alkylpyrimidine by dehydrogenation of 2-alkyltetrahydropyrimidine
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0193973A1

  公开（公告）日：1986-09-10

  3-Aminopropylpivalamide is prepared by contacting pivalic acid with 1,3-diaminopropane at temperatures above the boiling point of 1,3-diaminopropane and the latter is distilled off. The residue may be refluxed to provide 2-t-butyltetrahydropyrimidine. In a further step 2-alkylpyrimidines are obtained by dehydrogenation of the tetrahydropyrimidines over a supported noble metal catalyst under conditions which do not generate water and in which no water is added.

  在高于 1,3-二氨基丙烷沸点的温度下，将新戊酸与 1,3-二氨基丙烷接触，然后蒸馏掉后者，即可制备 3-氨基丙基新戊酰胺。残留物经回流可得到 2-t-丁基四氢嘧啶。下一步，在不产生水和不加水的条件下，在支撑贵金属催化剂上对四氢嘧啶进行脱氢反应，得到 2-烷基嘧啶。
• Pews, Richard Garth, Heterocycles, 1988, vol. 27, # 8, p. 1867 - 1872
  作者：Pews, Richard Garth

  DOI：——

  日期：——
• Multigram preparation of 2-alkylpyrimidines in the vapor phase from carboxylic acids and 1,3-diaminopropane over a dual catalyst system
  作者：John W. Hull、Kari Otterson

  DOI：10.1021/jo00036a031

  日期：1992.5

  2-Alkylpyrimidines 2 were obtained from cofeeding a carboxylic acid such as pivalic acid (3a) or propionic acid (3b) and 1,3-diaminopropane (4) over first an alumina catalyst at 250-290-degrees-C and second a palladium dehydrogenation catalyst at 300-340-degrees-C to give 2 directly in 56-68% overall yields. On the alumina bed, initial amidation of organic acid occurs to give the monoacyltrimethylenediamine 5, followed by ring closure to the tetrahydropyrimidine intermediate 6. An equilibrium between 5, 6, and water is established on the alumina bed, with an apparent equilibrium constant of 53 +/- 7 mol/Kg at 290-degrees-C. The high temperature of the alumina bed shifts the equilibrium in favor of 6, which is directly dehydrogenated to 2 over the palladium catalyst. The method avoids the need to isolate and purify solid intermediates. The presence of low levels of sulfur acts as a strong palladium catalyst deactivator. Gradual decline of palladium catalyst activity was observed due to carbon buildup. No decline in alumina catalyst activity was observed. The continuous process allows for the preparation of multigram quantities of 2 with a laboratory-scale reactor.