3-(trifluoromethyl)benzyl acrylate | 144261-45-0

• 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: 3-(trifluoromethyl)benzyl acrylate
• 英文别名: 3-(trifluoromethyl)phenylmethyl acrylate；[3-(trifluoromethyl)phenyl]methyl prop-2-enoate
• CAS: 144261-45-0
• 化学式: C₁₁H₉F₃O₂
• mdl: MFCD00080744
• 分子量: 230.186
• InChiKey: ZVVBHXGKXLHUMM-UHFFFAOYSA-N

物化性质

• 沸点：
  233.6±35.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(trifluoromethyl)benzyl acrylate 在 三乙基硅烷 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 三氟乙酸 作用下， 以 乙醚 、 正己烷 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 4.75h， 生成 5-TFMB KG
  参考文献：
  名称：

  Modular Synthesis of Cell-Permeating 2-Ketoglutarate Esters

  摘要：

  Cell-permeating esters of 2-ketoglutarate (2-KG) have been synthesized through a convergent sequence from two modules in two and three steps, respectively. This route provides access to a full series of mono- and disubstituted 2-KG esters, enabling us to define the effect of regioisomeric masking on metabolite release and antihypoxic activity in cell-based assays. In addition to providing insight into the biological activity of cell permeable 2-KG esters, the straightforward and modular nature of this synthetic route may prove useful for the development of next-generation 2-KG analogues for diagnostic and therapeutic applications.

  DOI：

  10.1021/acs.orglett.5b00737
• 作为产物：
  描述：

  3-三氟甲基苯甲醇 、 丙烯酸 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 N,N-二甲基甲酰胺 为溶剂， 以78%的产率得到3-(trifluoromethyl)benzyl acrylate
  参考文献：
  名称：

  Modular Synthesis of Cell-Permeating 2-Ketoglutarate Esters

  摘要：

  Cell-permeating esters of 2-ketoglutarate (2-KG) have been synthesized through a convergent sequence from two modules in two and three steps, respectively. This route provides access to a full series of mono- and disubstituted 2-KG esters, enabling us to define the effect of regioisomeric masking on metabolite release and antihypoxic activity in cell-based assays. In addition to providing insight into the biological activity of cell permeable 2-KG esters, the straightforward and modular nature of this synthetic route may prove useful for the development of next-generation 2-KG analogues for diagnostic and therapeutic applications.

  DOI：

  10.1021/acs.orglett.5b00737

文献信息

• Functionalized Photoreactive Compounds
  申请人：Cherkaoui Mohammed Zoubair

  公开号：US20080274304A1

  公开（公告）日：2008-11-06

  The present invention concerns functionalized photoreactive compounds of formula (I), that are particularly useful in materials for the alignment of liquid crystals. Due to the adjunction of an electron withdrawing group to specific molecular systems bearing an unsaturation directly attached to two unsaturated ring systems, exceptionally high photosensitivities, excellent alignment properties as well as good mechanical robustness could be achieved in materials comprising said functionalized photoreactive compounds of the invention.

  本发明涉及式(I)的官能化光反应化合物，特别适用于液晶对准材料。由于在特定分子系统中的不饱和键直接连接到两个不饱和环系统上附加了一个电子受体基团，因此在包含本发明的这些官能化光反应化合物的材料中可以实现异常高的光敏性、优异的对准性能以及良好的机械稳健性。
• [EN] CYANOSTILBENES<br/>[FR] CYANOSTILBÈNES
  申请人：ROLIC AG

  公开号：WO2014191292A1

  公开（公告）日：2014-12-04

  The present invention relates to novel compounds that are particularly useful for the alignment, especially photoalignment, of slave material, especially liquid crystals for optical or electro-optical applications, such as security applications, liquid crystal devices or optical or electro-optical films.

  本发明涉及一种新型化合物，特别适用于用于光学或电光应用的从材料，尤其是液晶的定向，特别是光定向，如安全应用、液晶器件或光学或电光薄膜。
• [EN] 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES<br/>[FR] ESTERS D'ACIDE 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIQUE UTILISES EN TANT QUE FONGICIDES
  申请人：CROPSOLUTION INC

  公开号：WO2005115148A1

  公开（公告）日：2005-12-08

  Compounds of formula (I) are described: along with compositions thereof, methods of use thereof (particularly as fungicides), and methods of making the same.

  本文描述了化学式为(I)的化合物，以及其组合物、使用方法（尤其是作为杀真菌剂的方法）和制备方法。
• 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides
  申请人：Anderson Richard

  公开号：US20060094739A1

  公开（公告）日：2006-05-04

  Compounds of formula I are described: along with compositions thereof, methods of use thereof (particularly as fungicides), and methods of making the same.

  本文描述了化学式I的化合物，以及它们的组成、使用方法（特别是作为杀真菌剂的方法）和制备方法。
• CYANOSTILBENES
  申请人：ROLIC AG

  公开号：US20160083655A1

  公开（公告）日：2016-03-24

  The present invention relates to novel compounds that are particularly useful for the alignment, especially photoalignment, of slave material, especially liquid crystals for optical or electro-optical applications, such as security applications, liquid crystal devices or optical or electro-optical films.

  本发明涉及新型化合物，特别适用于对从材料进行定向，尤其是光定向，特别是用于光学或电光应用的从材料，例如安全应用、液晶器件或光学或电光薄膜。