(E)-2-cyano-3-(4-(diethylamino) phenyl) acrylic acid | 396087-05-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-2-cyano-3-(4-(diethylamino) phenyl) acrylic acid
• 英文别名: 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid
• CAS: 396087-05-1
• 化学式: C₁₄H₁₆N₂O₂
• 分子量: 244.293
• InChiKey: YPUZCMVSMPWSKU-UHFFFAOYSA-N

物化性质

• 沸点：
  427.8±40.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  64.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基丙烯酸羟乙酯 、 (E)-2-cyano-3-(4-(diethylamino) phenyl) acrylic acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 26.0h， 以66%的产率得到2-(2-Methylprop-2-enoyloxy)ethyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
  参考文献：
  名称：

  スチリル系化合物、前記スチリル系化合物を含む色材、これを含む感光性樹脂組成物、前記感光性樹脂組成物で製造された感光材、これを含むカラーフィルタおよび前記カラーフィルタを含むディスプレイ装置

  摘要：

  这份明细书涉及苯乙烯类化合物、包含该苯乙烯类的色料、含有该色料的感光树脂组合物、由该感光树脂组合物制造的感光材料，以及包含该材料的彩色滤光片和包含该滤光片的显示装置。

  公开号：

  JP2015532667A
• 作为产物：
  描述：

  苯胺 在 哌啶 、 四丁基溴化铵 、 sodium stearate 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 生成 (E)-2-cyano-3-(4-(diethylamino) phenyl) acrylic acid
  参考文献：
  名称：

  Monocarboxylate Transporter 1 Inhibitors as Potential Anticancer Agents

  摘要：

  Potent monocarboxylate transporter I inhibitors (MCTI) have been developed based on alpha-cyano-4-hydroxycinnamic acid template. Structure-activity relationship studies demonstrate that the introduction of p-N, N-dialkyl/diaryl, and o-methoxy groups into cyanocinnamic acid has maximal MCT1 inhibitory activity. Systemic toxicity studies in healthy ICR mice with few potent MCTI inhibitors indicate normal body weight gains in treated animals. In vivo tumor growth inhibition studies in colorectal adenocarcinoma (WiDr cell line) in nude mice xenograft models establish that compound 27 exhibits single agent activity in inhibiting the tumor growth.

  DOI：

  10.1021/acsmedchemlett.5b00049

文献信息

• 스티릴계 화합물 및 상기 화합물을 포함하는 염료
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR101577491B1

  公开（公告）日：2015-12-15

  본 명세서는 내열성과 유기용매에 대하여 용해성이 우수한 스티릴계 화합물 및 상기 스티릴계 화합물을 포함하는 염료에 관한 것이다.

  本规范涉及对具有出色溶解性的苯乙烯类化合物和含有该苯乙烯类化合物的染料在热性能和有机溶剂方面的性能。
• Poling efficiency enhancement of tethered binary nonlinear optical chromophores for achieving an ultrahigh n³r₃₃ figure-of-merit of 2601 pm V⁻¹
  作者：Ming Li、Su Huang、Xing-Hua Zhou、Yue Zang、Jieyun Wu、Zhanchen Cui、Jingdong Luo、Alex K.-Y. Jen

  DOI：10.1039/c5tc01049g

  日期：——

  structure for dipole engineering. We found that such binary chromophore systems (exemplified as chromophore C1) exhibited significantly improved poling efficiency and thermal stability in poled films of guest–host polymers and monolithic glass. A systematic study of materials' physical properties, including analyses of poling-induced order thermally stimulated depolarization and comparison with simple dipolar

  对于非线性光学，已经研究了一种拴系二元生色团的新设计。在这项工作中，具有强二烷基氨基苯基供体和CF 3 -TCF受体的推挽四烯结构由于其超极化性大而被用作主要发色团，并且具有短的偶极矩和不同的分子形态的短的氰基乙酸盐染料。比率被用作偶极工程的次级偶极结构。我们发现这样的二元生色团系统（以生色团C1为例）在客体-主体聚合物和整体玻璃的极化膜中显示出极高的极化效率和热稳定性。对材料物理性质的系统研究，包括对极化诱导的阶次热激发去极化的分析以及与简单偶极多烯的比较，将包含C1的极化膜的改善的EO性能与其系留的二元结构联系起来。它提供了一种有效的静电屏蔽机制，可实现出色的材料固溶加工性能，并在施加的极化场的作用下协同增强极化薄膜的更高极性序。r 33值超高，为273 pm V -1对于C1的整体玻璃，在1300 nm的波长处获得了2.12的高折射率，这表示n 3 r 33的品质因数达到了创纪录的2601
• Molecular Model of Dye Sensitized Titanium Oxides Based on Aryl-Amine Dye Anchored Titanium Oxo Clusters
  作者：Dan-Hong Zou、Li-Na Cui、Pei-Yi Liu、Shen Yang、Qin-Yu Zhu、Jie Dai

  DOI：10.1021/acs.inorgchem.9b00945

  日期：2019.7.15

  Model studies on dye sensitized titanium oxides have attracted wide interest with respect to their importance in understanding photoelectric and photophysical processes. Ligand modified titanium oxo clusters (TOCs) have been considered as the most appropriate models for dye sensitized solar cells (DSSCs) on the basis of their atomically precise structures. However, the ligands used previously in TOC models were seldom the dyes that really applied in DSSCs due to the difficulty with which the crystals of the dye anchored TOCs are obtained. We report herein a series of TOCs with the popularly used arylamine-cyanoacrylate dyes. As the closest model of DSSCs, the TOCs were studied by DFT calculations based on their accurate structural information. They have also been applied to photoelectric conversion evaluation by a solar cell device. Both the theoretical and application results showed that the synergistic effect of intradye molecular charge transfer (ICT) and dye to TiO cluster charge transfer (LMCT) is important in increasing the power conversion efficiency.