(E)-3-(4-(diphenylamino)phenyl)acrylic acid | 1081839-13-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-3-(4-(diphenylamino)phenyl)acrylic acid
• 英文别名: 2-Propenoic acid, 3-[4-(diphenylamino)phenyl]-；(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoic acid
• CAS: 1081839-13-5
• 化学式: C₂₁H₁₇NO₂
• 分子量: 315.371
• InChiKey: TUXUJVDBDXGHMS-DTQAZKPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-(4-(diphenylamino)phenyl)acrylic acid 在 草酰氯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 (E)-3-(4-(diphenylamino)phenyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide
  参考文献：
  名称：

  Design, Synthesis and Cytotoxic Evaluation of Novel Imatinib Amide Derivatives that Target Abl Kinase

  摘要：

  新型的伊马替尼酰胺衍生物（a1-28, b1-9）被合成并评估了它们的生物活性。所有化合物均通过1H NMR、质谱及元素分析进行了表征。在所有衍生物中，化合物a4、a10、a21、b1和b2显示出最强的抑制K562细胞增殖能力，其IC50值分别为0.67、0.66、0.65、0.59和0.62 µM，表明这些化合物是白血病K562细胞中Bcr-Abl的有效抑制剂，与参考化合物伊马替尼相当。分子对接研究用于将化合物a21和b1定位到Abl的活性位点，以确定可能的结合模式。

  DOI：

  10.2174/1570180811666140812231519
• 作为产物：
  描述：

  丙二酸 、 4-二苯胺基苯甲醛 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以82.6%的产率得到(E)-3-(4-(diphenylamino)phenyl)acrylic acid
  参考文献：
  名称：

  一锅合成含有不同受体部分的无金属有机染料，用于制造染料敏化太阳能电池

  摘要：

  通过单锅Knoevenagel缩合反应合成了一系列不含金属的有机染料，含有二苯胺或二乙胺作为供体，与丙烯酸或罗丹-3-乙酸作为受体和苯基π间隔物相连。用于染料敏化太阳能电池（DSSC）的光敏剂。研究了合成染料的光物理，电化学和DSSC性能，其中二苯胺供体和丙烯酸受体基染料（Ar-ma）在AM1.5光照（85 mW cm -2）下表现出高的电子寿命和最大的功率转换效率。电化学阻抗谱结果及其理论计算与DSSC输出性能具有很好的一致性。

  DOI：

  10.1016/j.tetlet.2013.04.012

文献信息

• H-Bonding and C–H⋯π assisted mechanofluorochromism of triphenylamine-containing vinylheterocycles bearing cyano and methyl groups
  作者：Jiang Peng、Jinyu Zhao、Longde Zheng、Kaiqi Ye、Jingbo Sun、Ran Lu

  DOI：10.1039/c8nj03510e

  日期：——

  introduction of a cyano group in vinyl and methyl in triphenylamine was favorable for producing mechanofluorochromism of the fused heterocyclic derivatives. The single crystal X-ray diffraction data revealed that the intermolecular interactions of the H-bonding formed from the cyano group and the C–H⋯π interaction formed from the methyl group would rigidify the molecular conformations, leading to strong

  合成了新的D–π–A型含三苯胺的苯并咪唑，苯并恶唑和苯并噻唑。发现在三苯胺的乙烯基和甲基中引入氰基基团有利于产生稠合的杂环衍生物的机械氟致变色。单晶X射线衍射数据表明，由氰基形成的H键和由甲基形成的C–H⋯π分子间的相互作用将使分子构象变硬，从而导致强烈的固态发射。有趣的是，
• Cross-linkable polymers and electronic devices made with such polymers
  申请人：Herron Norman

  公开号：US20050184287A1

  公开（公告）日：2005-08-25

  The present invention relates to novel cross-linkable polymers and a wide variety of electronic devices containing at least one layer having the polymer. The compounds can function as monomers, and copolymers can be formed from such monomers, such copolymers comprising, as polymerized units, a plurality of units of the compounds.

  本发明涉及新型可交联聚合物以及至少包含具有该聚合物的一层的各种电子设备。这些化合物可以作为单体功能，从这些单体中可以形成共聚物，这样的共聚物包括化合物的多个单元作为聚合单元。
• ELECTRONIC DEVICES MADE WITH CROSSLINKABLE COMPOUNDS AND COPOLYMERS
  申请人：HERRON NORMAN

  公开号：US20080132622A1

  公开（公告）日：2008-06-05

  The present disclosure relates to electronic devices comprising at least one layer comprising novel cross-linkable polymers. The compounds can function as monomers, and copolymers can be formed from such monomers, such copolymers comprising, as polymerized units, a plurality of units of the compounds. The compositions are especially useful when incorporated into charge transport layers and light-emitting layers of a wide variety of electronic devices.

  本公开涉及包含至少一层新型交联聚合物的电子设备。这些化合物可以作为单体，从这些单体可以形成共聚物，这些共聚物包括作为聚合单元的化合物的多个单元。当这些组成物被纳入各种电子设备的电荷传输层和发光层时，这些组成物特别有用。
• Aromatic amine compositions and electronic devices made with such compositions
  申请人：E. I. du Pont de Nemours and Company

  公开号：EP2261299A2

  公开（公告）日：2010-12-15

  The present invention relates to novel cross-linkable polymers and a wide variety of electronic devices containing at least one layer having the polymer. The compounds can function as monomers, and copolymers can be formed from such monomers, such copolymers comprising, as polymerized units, a plurality of units of the compounds.

  本发明涉及新型可交联聚合物和至少含有一层该聚合物的多种电子设备。这些化合物可以作为单体，也可以由这些单体形成共聚物，这种共聚物包括作为聚合单元的多个化合物单元。
• Synthesis, crystal structures and in vitro antibacterial activity of two novel organotin(IV) complexes
  作者：Banfeng Ruan、Yupeng Tian、Rentao Hu、Hongping Zhou、Jieying Wu、Jiaxiang Yang、Hailiang Zhu

  DOI：10.1016/j.ica.2010.09.004

  日期：2011.1

  Two triorganotin(IV) carboxylates [nBu(3)SnOL](n) (KK1) and [Ph3SnOL](n) (KK2) have been prepared by the reactions of (E)-3-(4-(diphenylamino)phenyl)acrylic acid (HL) with n(Bu3Sn)(2)O and Ph3Sn(OH), respectively. Complexes KK1 and KK2 have been structurally characterized by IR, elemental analysis and X-ray crystallography, confirming that both complexes possess infinite 1D chain structures. It's exciting to discover that KK1 and KK2 exhibit strong solid-state luminescence emission while the HL almost quenches. Furthermore, both complexes were assayed for in vitro antibacterial activity against two Gram-positive bacterial strains (Bacillus subtilis ATCC 6633 and Staphylococcus aureus ATCC 6538) and two Gram-negative bacterial strains (Pseudomonas aeruginosa ATCC 13525 and Escherichia coli ATCC 35218) by MTT method. Complex KK2 exhibited powerful antibacterial activities against S. aureus with MIC value of 0.78 mu g/mL, which was superior to the positive controls penicillin G. On the basis of the biological results, structure-activity relationships were discussed. (C) 2010 Elsevier B.V. All rights reserved.