4-chloro-N-(4-chlorophenyl)benzimidoyl chloride | 29955-57-5

• 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: 4-chloro-N-(4-chlorophenyl)benzimidoyl chloride
• 英文别名: 4-Chlor-N-(4-chlorphenyl)-benzimidchlorid；N-(4-chlorophenyl)-4-chlorobenzimidoyl chloride；4-chloro-N-(4-chlorophenyl)benzenecarboximidoyl chloride
• CAS: 29955-57-5
• 化学式: C₁₃H₈Cl₃N
• 分子量: 284.572
• InChiKey: DURIMWUNASFLMU-UHFFFAOYSA-N

物化性质

• 熔点：
  73-74 °C
• 沸点：
  386.2±52.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-chloro-N-(4-chlorophenyl)benzimidoyl chloride 以 丙酮 为溶剂， 生成 1-[(4-chlorophenyl)-(4-chlorophenylimino)methyl]-3-methylthiourea
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 2,3,5-Substituted [1,2,4]Thiadiazoles as Allosteric Modulators of Adenosine Receptors

  摘要：

  A number of 2,3,5-substituted [1,2,4]thiadiazole analogues of SCH-202676 (N-(2,3-diphenyl-[1,2,4]thiadiazole-5(2H)-ylidene)methanamine, 7a) were synthesized and tested as potential allosteric modulators of adenosine receptors. All compounds were capable of displacing the binding of the radiolabeled agonist [H-3]CCPA to human A(1) adenosine receptors, whereas modest and varying effects were observed on the binding of [H-3]DPCPX, a radiolabeled antagonist for this receptor subtype. Four compounds, 7a (SCH-202676), 7k (LUF5792), 71 (LUF5794), and 8e (LUF5789), were selected for more detailed characterization. They all proved allosteric inhibitors of agonist binding, with 7k being most potent, whereas their effects on antagonist binding were more ambiguous. Subsequently, experiments were done on human adenosine A(2A) and A(3) receptors. Compounds 7a and 71 displayed peculiar displacement characteristics of both radiolabeled agonist and antagonist binding to A(2A) receptors, whereas 7a showed some activity on A(3) receptors.

  DOI：

  10.1021/jm030863d
• 作为产物：
  描述：

  4-氯-N-(4-氯苯基)苯甲酰胺 在 氯化亚砜 作用下， 反应 3.0h， 生成 4-chloro-N-(4-chlorophenyl)benzimidoyl chloride
  参考文献：
  名称：

  钯催化亚氨基酰氯与邻碘苯胺的环羰基化反应，生成喹唑啉-4（3H）-ones。

  摘要：

  通过钯催化亚氨基酰氯和一氧化碳对碘代苯胺的环羰基化反应，可以制备63-91％产率的多种取代的喹唑啉-4（3H）-1。据信该反应通过via的原位形成，然后氧化加成，CO插入和分子内环化而进行，以给出取代的喹唑啉-4（3H）-。

  DOI：

  10.1021/ol7029454

文献信息

• Proton-Transfer Polymerization by <i>N</i>-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters
  作者：Miao Hong、Xiaoyan Tang、Laura Falivene、Lucia Caporaso、Luigi Cavallo、Eugene Y.-X. Chen

  DOI：10.1021/jacs.5b13019

  日期：2016.2.17

  presents a full account of experimental and theoretical/computational investigations into the N-heterocyclic carbene (NHC)-catalyzed proton-transfer polymerization (HTP) that converts common dimethacrylates (DMAs) containing no protic groups into unsaturated polyesters. This new HTP proceeds through the step-growth propagation cycles via enamine intermediates, consisting of the proposed conjugate addition-proton

  该贡献全面介绍了 N-杂环卡宾 (NHC) 催化的质子转移聚合 (HTP) 的实验和理论/计算研究，该聚合将不含质子基团的常见二甲基丙烯酸酯 (DMA) 转化为不饱和聚酯。这种新的 HTP 通过烯胺中间体通过逐步生长传播循环进行，包括提出的共轭加成 - 质子转移 - NHC 释放基本步骤。本研究考察了单体和催化剂的范围以及整个 HTP 机制中涉及的基本步骤。具有连接两种甲基丙烯酸酯的六种不同类型键的 DMA 已聚合成相应的不饱和聚酯。该系列中最吸引人的不饱和聚酯是基于生物质衍生的二甲基丙烯酸糠酯，表现出独特的自固化能力。四种 MeO 和 Cl 取代的 TPT（1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene）衍生物作为甲醇插入产物，(Rx)TPT(MeO/ H) (R = MeO, Cl; x = 2, 3) 和两种游离卡宾（催化剂），(OMe2)TPT
• Triazoles
  申请人：Commonwealth Scientific and Industrial Research Organization

  公开号：US04049815A1

  公开（公告）日：1977-09-20

  3-Trihalomethyl-1,2,4-triazoles either unsubstituted or having substituents in the 4 and/or 5, 1 and/or 5, and 2 and/or 5 positions; and methods for their preparation. The compounds show biological activity; at least some have acaricidal activity.

  3-三卤甲基-1,2,4-三唑可以是未取代的，也可以在4和/或5，1和/或5，2和/或5位置具有取代基；以及它们的制备方法。这些化合物表现出生物活性；至少有些具有杀螨活性。
• Nuhn; Buge; Harenberg, Pharmazie, 1993, vol. 48, # 5, p. 340 - 342
  作者：Nuhn、Buge、Harenberg、Lettau、Moschner、Rauchmaul、Schneider

  DOI：——

  日期：——
• Nikonova, I. V.; Koldobskii, G. I.; Zhivich, A. B., Journal of general chemistry of the USSR, 1991, vol. 61, # 9.2, p. 1951 - 1957
  作者：Nikonova, I. V.、Koldobskii, G. I.、Zhivich, A. B.、Ostrovskii, V. A.

  DOI：——

  日期：——
• Molina, P.; Arques, A.; Lorenzo, A., Synthetic Communications, 1985, vol. 15, # 7, p. 617 - 622
  作者：Molina, P.、Arques, A.、Lorenzo, A.

  DOI：——

  日期：——