N¹,N⁴-dibenzylterephthalamide | 15771-25-2

• 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: N¹,N⁴-dibenzylterephthalamide
• 英文别名: N,N'-dibenzylterephthalamide；N,N'-dibenzyl-terephthalamide；N,N'-Dibenzyl-terephthalamid；1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
• CAS: 15771-25-2
• 化学式: C₂₂H₂₀N₂O₂
• mdl: MFCD00369653
• 分子量: 344.413
• InChiKey: DDMQGXDKJKYCRL-UHFFFAOYSA-N

物化性质

• 熔点：
  262-264 °C(Solv: methanol (67-56-1))
• 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：

  N¹,N⁴-dibenzylterephthalamide 在 Crabtree's catalyst 吡啶 、 copper diacetate 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 6.5h， 生成 3,10-Dibenzyl-3,10-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-2,11-dione
  参考文献：
  名称：

  [10]Paracyclophanediamides and their octadehydro derivatives: novel exotopic receptors with hydrogen-bonding sites on the bridge

  摘要：

  2,9-Diaza-1,10-dioxo[10]paracyclophanes were prepared in short steps from the terephthaloyl chlorides via the corresponding 4,6-diyne derivatives, and the amide groups on the bridge endow the skeleton with the guest-binding properties as demonstrated by complexation with adrenaline by hydrogen bonds. The chiral auxiliaries on the bridge induce diastereomeric preference in terms of the planar chirality for the octadehydro derivative with a rigid diyne unit in crystal. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.09.115
• 作为产物：
  描述：

  对苯二甲醇 、 苄胺 在 C₂₉H₄₄Cl₂N₂Ru 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以92%的产率得到N¹,N⁴-dibenzylterephthalamide
  参考文献：
  名称：

  一种高效的基于N-杂环卡宾的钌催化剂：在酯和酰胺的合成中的应用

  摘要：

  从易于获得的起始原料开始，制备了高度稳定的基于苯并咪唑基亚烷基的N-杂环卡宾（NHC）钌催化剂。在惰性气体气氛下和空气中，该催化剂对由伯醇直接合成酯以及由伯醇和胺直接合成酰胺具有很高的活性。通过使用特定的起始原料可得到二酰胺，三酰胺和寡酰胺。

  DOI：

  10.1016/j.catcom.2013.06.002

文献信息

• Identification and Structure–Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in <i>Escherichia coli</i>
  作者：Keith M. Haynes、Narges Abdali、Varsha Jhawar、Helen I. Zgurskaya、Jerry M. Parks、Adam T. Green、Jerome Baudry、Valentin V. Rybenkov、Jeremy C. Smith、John K. Walker

  DOI：10.1021/acs.jmedchem.7b00453

  日期：2017.7.27

  In Gram-negative bacteria, efflux pumps are able to prevent effective cellular concentrations from being achieved for a number of antibiotics. Small molecule adjuvants that act as efflux pump inhibitors (EPIs) have the potential to reinvigorate existing antibiotics that are currently ineffective due to efflux mechanisms. Through a combination of rigorous experimental screening and in silico virtual

  在革兰氏阴性细菌中，外排泵能够防止多种抗生素达到有效的细胞浓度。充当外排泵抑制剂（EPI）的小分子佐剂有可能使现有的由于外排机制无效的抗生素恢复活力。通过严格的实验筛选和计算机虚拟筛选的组合，我们最近确定了与膜融合蛋白AcrA相互作用的新型EPI，AcrA是大肠杆菌中AcrAB-TolC外排泵的关键组件。在本文中，我们介绍了围绕先前提到的命中之一NSC 60339（1）的初步优化工作以及结构与活性之间的关系。通过这些努力，我们确定了两种化合物，SLUPP - 225（17小时）和SLUPP - 417（170），它表现出良好的特性，如潜在环境绩效指标大肠杆菌细胞，包括渗透外膜的能力，改进的相对流出的抑制作用1新生霉素的活性的，和增强和红霉素。
• A novel nickel-catalyzed synthesis of thioesters, esters and amides from aryl iodides in the presence of chromium hexacarbonyl
  作者：Nasser Iranpoor、Habib Firouzabadi、Elham Etemadi-Davan、Arash Nematollahi、Hamid Reza Firouzi

  DOI：10.1039/c5nj00655d

  日期：——

  our findings on a novel and cheap NiCl2 catalytic system under ligand-free conditions for the efficient thiocarbonylation, alkoxycarbonylation and amidocarbonylation reactions of aryl iodides in the presence of Cr(CO)6 as the solid source of carbon monoxide under air. A variety of aryl iodides tolerated the reaction conditions and structurally different thiols, alcohols and amines were used efficiently

  这项研究描述了我们在无配体条件下新型廉价的NiCl 2催化体系上的发现，该体系用于在空气中一氧化碳的固体源Cr（CO）6存在下有效地进行芳基碘化物的硫代羰基化，烷氧基羰基化和酰胺羰基化反应。各种芳基碘化物可以耐受反应条件，并且可以有效地使用结构上不同的硫醇，醇和胺。在大气压下，在温和的反应条件下，以良好或优异的收率获得了相应的硫代酯，酯和酰胺。
• 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。
• N-BENZYLAMIDES AS DERIVATIVES FOR IDENTIFYING THE ACYL GROUP IN ESTERS^1,2
  作者：O. C. DERMER、JACK KING

  DOI：10.1021/jo01190a008

  日期：1943.3
• Efficient Microwave Access to Polysubstituted Amidines from Imidoylbenzotriazoles
  作者：Alan R. Katritzky、Chunming Cai、Sandeep K. Singh

  DOI：10.1021/jo052443x

  日期：2006.4.1

  Microwave reactions of primary and secondary amines with imidoylbenzotriazoles 6a-w gave diversely substituted amidines 7a-Aa in 76-94% yields. Convenient preparations of a variety of amides 5a-Ab (87-96%) and imidoylbenzotriazoles 6a-w (56-95%) have also been developed using microwave irradiation under mild conditions and short reaction times. These results demonstrate further the advantages of microwave synthesis and introduce a new application of imidoylbenzotriazoles in the preparation of polysubstituted amidines.