isophthalic bisbenzylamide | 41882-29-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: isophthalic bisbenzylamide
• 英文别名: N,N'-Dibenzyl-m-phthalsaeurediamid；N1,N3-Dibenzylbenzene-1,3-dicarboxamide；1-N,3-N-dibenzylbenzene-1,3-dicarboxamide
• CAS: 41882-29-5
• 化学式: C₂₂H₂₀N₂O₂
• mdl: MFCD01213045
• 分子量: 344.413
• InChiKey: ANTGUVVFULXKBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  634.0±55.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 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：

  isophthalic bisbenzylamide 在 盐酸 、 硼烷四氢呋喃络合物 、 三乙胺 、 mercury dichloride 作用下， 生成
  参考文献：
  名称：

  Aromatic analogs of arcaine inhibit MK-801 binding to the NMDA receptor

  摘要：

  Aromatic analogs of arcaine were shown to have inhibitory effects on the binding of the channel blocking drug [H-3]MK-801 to the NMDA receptor complex. The most potent compound of the series was an N,N'-bis(propyl)guanidinium which inhibited [H-3]MK-801 binding with an IC50 of 0.58 mu M and an IC50 of 12.17 mu M upon addition of 100 mu M spermidine. The increase in IC50 upon addition of spermidine suggests competitive antagonism between the inhibitor and spermidine at the arcaine-sensitive polyamine site of the NMDA receptor complex. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00631-3
• 作为产物：
  描述：

  isophthalic anhydride 在 吡啶 、 2-吗啉乙磺酸 、 水 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 水 、 乙腈 为溶剂， 生成 isophthalic bisbenzylamide
  参考文献：
  名称：

  燃料驱动的动态组合库

  摘要：

  在动态组合库中，分子在热力学控制下可逆地相互反应以形成复杂的网络。在生物系统中，化学反应网络通过化学能的转换在动力学控制下运行。因此，我们通过化学反应循环将能量转导的概念引入了动态组合库。在文库中，单体可以低聚，低聚物可以去低聚，低聚物可以重组。有趣的是，我们发现文库组件的动力学受转酰基作用支配，这是一种平衡反应。相比之下，图书馆的动力学是由燃料驱动的激活决定的，这是一种非平衡反应。最后，我们发现自组装可以通过反馈机制在影响反应动力学方面发挥重要作用。同时运行的反应和反馈机制的相互作用会导致滞后效应，其中燃料竞争的结果取决于过去发生的事件。在未来的工作中，我们设想通过使用催化活性基序和包含信息的单体修改构建块来使库多样化。

  DOI：

  10.1021/jacs.1c01616

文献信息

• Atom-economic amide synthesis by using an iron-substituted polyoxometalate catalyst
  作者：Aiping Wang、Ya Xie、Jingjing Wang、Da Shi、Han Yu

  DOI：10.1039/d1cc05417a

  日期：——

  A practical strategy for amidation of various amines and carboxylic acids by using an inorganic–ligand supported iron catalyst.

  一种利用无机配体支持的铁催化剂对各种胺和羧酸进行酰胺化的实用策略。
• POLYESTERS WITH LOW MOLECULAR WEIGHT ADDITIVES FOR IMPROVED GAS BARRIER PROPERTIES
  申请人：Peters Richard Dalton

  公开号：US20120199515A1

  公开（公告）日：2012-08-09

  Disclosed is a polyester polymer composition comprising at least one polyethylene terephthalate polyester in an amount ranging from 94.0 weight percent to 99.5 weight percent and at least one additive in an amount ranging from 0.5 weight percent to 6 weight percent, each based on the total weight of the polyester composition. The at least one additive comprises a diamide molecule. The composition of the present invention is useful in producing shaped articles such as, for example, sheeting, films, tubes, bottles, preforms, and profiles. These articles can exhibit improved gas barrier properties. The process for making the polymer composition and the shaped articles is also disclosed.

  本发明公开了一种聚酯聚合物组合物，其包括至少一种聚对苯二甲酸乙二醇酯聚酯，其含量在94.0重量百分比至99.5重量百分比之间，并且至少一种添加剂，其含量在0.5重量百分比至6重量百分比之间，每种都基于聚酯组合物的总重量。所述至少一种添加剂包括一种二酰胺分子。本发明的组合物可用于生产成型物品，例如，薄膜、管道、瓶子、预制体和型材。这些物品可以表现出改善的气体屏障性能。本发明还公开了制备聚合物组合物和成型物品的方法。
• Oxygen scavenging plastic material
  申请人：Clariant International Ltd.

  公开号：EP2708574A1

  公开（公告）日：2014-03-19

  The invention relates to the use of an additive as oxygen scavenger in a plastic material, wherein (a) the plastic material is a polyester, a polyolefin, a polyolefin copolymer or a polystyrene, and the additive (b) is a light stabilizer and optionally a transition metal compound.

  本发明涉及在塑料材料中使用添加剂作为氧清除剂，其中 (a) 塑料材料是聚酯、聚烯烃、聚烯烃共聚物或聚苯乙烯，以及 添加剂 (b) 是一种光稳定剂，也可以是一种过渡金属化合物。
• The catalytic decomposition of secondary carboxamides by transition-metal complexes
  作者：J. Blum、A. Fisher、E. Greener

  DOI：10.1016/0040-4020(73)80064-x

  日期：1973.1
• Electrochemically Induced Dynamics of a Benzylic Amide [2]Catenane
  作者：Paola Ceroni、David A. Leigh、Loïc Mottier、Francesco Paolucci、Sergio Roffia、David Tetard、Francesco Zerbetto

  DOI：10.1021/jp991870+

  日期：1999.11.1

  The electrochemistry of a benzylic amide [2]catenane was investigated and compared to that of its topologically trivial components. The redox behavior of both the catenane and the uninterlocked macrocycle can be largely understood in terms of the electrochemistry of smaller molecular fragments and simple molecular orbital considerations that show that the electroactivity of the C=O groups is split into two sets of quasi-degenerate potentials separated by a substantial gap. A fast intermolecular reaction follows the reduction of the macrocycle and smaller fragments, consistent with the corresponding dimers containing a new C-C bond linking two reduced carbonyls. The cyclic voltammetric behavior of the catenane differs significantly from that of the macrocycle-a feature that must therefore be directly attributable to the mechanically interlocked molecular architecture of the catenane. In particular, an intramolecular reaction (irreversible in the CV time scale) occurs in the catenane, which is shown to be a function of temperature and scan rate. Simulation of the cyclic voltammograms shows that the intramolecular reaction occurs on a time scale wider than that of circumrotation of the two rings in the neutral molecule, thus excluding that cyclic voltammetry (CV) is monitoring the latter process, Both the analysis of the electrochemical data and semiempirical quantum chemical (MNDO) calculations would suggest that the electrochemically induced reaction in the catenane is the soldering of the two interlocked macrocycles: the formation of a C-C bond between two reduced carbonyl groups would thus prevent further rotation of the two interlocked rings.