4-[4-(Aminomethyl)phenyl]benzonitrile | 893649-08-6

• 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-[4-(Aminomethyl)phenyl]benzonitrile
• CAS: 893649-08-6
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: GJGBJUWMKXOCTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  393.6±35.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[4-(Aminomethyl)phenyl]benzonitrile 在 nickel(II) triflate 、 氨 、 氢气 、 双(2-二苯基膦乙基)苯基磷 作用下， 以 2,2,2-三氟乙醇 为溶剂， 120.0 ℃ 、4.0 MPa 条件下， 反应 10.0h， 以94%的产率得到4,4'-二氨甲基联苯
  参考文献：
  名称：

  镍催化腈和胺的氢化偶联用于一般胺合成

  摘要：

  合成胺的有效和通用方法在化学工业中仍然有很高的需求。在许多已知的方法中，催化加氢是一种经济有效且经工业验证的反应，目前用于生产多种此类化合物。我们报告了一种均相镍催化剂，用于将一系列芳族、杂芳族和脂肪族腈与伯胺和仲胺或氨进行氢化交叉偶联。该通用氢化方案通过直接和高选择性合成 > 230 种功能化和结构多样的胺（包括药学相关和手性产物）以及15N-同位素标记应用。

  DOI：

  10.1126/science.abn7565
• 作为产物：
  描述：

  对溴苄胺 、 4-氰基苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 1.0h， 生成 4-[4-(Aminomethyl)phenyl]benzonitrile
  参考文献：
  名称：

  Lead Optimization of a Novel Series of Imidazo[1,2-a]pyridine Amides Leading to a Clinical Candidate (Q203) as a Multi- and Extensively-Drug-Resistant Anti-tuberculosis Agent

  摘要：

  A critical unmet clinical need to combat the global tuberculosis epidemic is the development of potent agents capable of reducing the time of multi-drug-resistant (MDR) and extensively-drug-resistant (XDR) tuberculosis therapy. In this paper, we report on the optimization of imidazo[1,2-a]pyridine amide (IPA) lead compound 1, which led to the design and synthesis of Q203 (50). We found that the amide linker with IPA core is very important for activity against Mycobacterium tuberculosis H37Rv. Linearity and lipophilicity of the amine part in the IPA series play a critical role in improving in vitro and in vivo efficacy and pharmacokinetic profile. The optimized IPAs 49 and 50 showed not only excellent oral bioavailability (80.2% and 90.7%, respectively) with high exposure of the area under curve (AUC) but also displayed significant colony-forming unit (CFU) reduction (1.52 and 3.13 log10 reduction at 10 mg/kg dosing level, respectively) in mouse lung.

  DOI：

  10.1021/jm5003606

文献信息

• Liquid crystal composition and liquid crystal display device using the same
  申请人：DIC Corporation

  公开号：US10752838B2

  公开（公告）日：2020-08-25

  An object of the present invention is to provide a composition that realizes high Δn, has a wide liquid crystal phase temperature range, small viscosity, excellent low-temperature solubility, and high resistivity and voltage holding ratio, and is stable against heat and light, and to provide a liquid crystal composition having an excellent lens effect and excellent chemical stability using the composition, and a liquid crystal display device and a liquid crystal lens that use the liquid crystal composition. The present invention provides a liquid crystal composition that contains one or two or more compounds represented by general formula (i) and one or two or more compounds represented by general formula (ii), a liquid crystal display device using the liquid crystal composition, a liquid crystal lens using the liquid crystal composition, and a birefringence lens for stereoscopic image display using the liquid crystal composition.

  本发明的目的是提供一种可实现高Δn、具有宽液晶相温度范围、小粘度、优异的低温溶解性以及高电阻率和电压保持比并且对热和光稳定的组合物，并提供一种使用该组合物具有优异透镜效果和优异化学稳定性的液晶组合物，以及一种使用该液晶组合物的液晶显示装置和液晶透镜。本发明提供一种含有一种或两种以上通式(i)代表的化合物和一种或两种以上通式(ii)代表的化合物的液晶组合物、一种使用该液晶组合物的液晶显示装置、一种使用该液晶组合物的液晶透镜以及一种使用该液晶组合物的用于立体图像显示的双折射透镜。
• Liquid crystal composition and liquid crystal display device
  申请人：DIC Corporation

  公开号：US10913895B2

  公开（公告）日：2021-02-09

  A composition having a high Δn, a wide temperature range of a liquid crystal phase, low viscosity, good solubility at a low temperature, high resistivity, a high voltage holding ratio, and stability against heat and light; a liquid crystal composition containing the composition, the liquid crystal composition having a good lens effect and good chemical stability; a liquid crystal display device including the liquid crystal composition; and a liquid crystal lens including the liquid crystal composition. The liquid crystal composition contains one or two or more compounds represented by general formula (i) and one or two or more compounds represented by general formula (ii).

  一种具有高Δn、宽温度范围的液晶相、低粘度、低温下良好的溶解性、高电阻率、高电压保持比以及对热和光稳定的组合物；一种含有该组合物的液晶组合物，该液晶组合物具有良好的透镜效果和良好的化学稳定性；一种包括该液晶组合物的液晶显示装置；以及一种包括该液晶组合物的液晶透镜。液晶组合物含有一种或两种以上通式(i)代表的化合物和一种或两种以上通式(ii)代表的化合物。
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME
  申请人：DIC Corporation

  公开号：US20180134961A1

  公开（公告）日：2018-05-17

  An object of the present invention is to provide a composition that realizes high Δn, has a wide liquid crystal phase temperature range, small viscosity, excellent low-temperature solubility, and high resistivity and voltage holding ratio, and is stable against heat and light, and to provide a liquid crystal composition having an excellent lens effect and excellent chemical stability using the composition, and a liquid crystal display device and a liquid crystal lens that use the liquid crystal composition. The present invention provides a liquid crystal composition that contains one or two or more compounds represented by general formula (i) and one or two or more compounds represented by general formula (ii), a liquid crystal display device using the liquid crystal composition, a liquid crystal lens using the liquid crystal composition, and a birefringence lens for stereoscopic image display using the liquid crystal composition.
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：DIC Corporation

  公开号：US20180171229A1

  公开（公告）日：2018-06-21

  The present invention aims to provide a composition having a high Δn, a wide temperature range of a liquid crystal phase, low viscosity, good solubility at a low temperature, high resistivity, a high voltage holding ratio, and stability against heat and light; a liquid crystal composition containing the composition, the liquid crystal composition having a good lens effect and good chemical stability; a liquid crystal display device including the liquid crystal composition; and a liquid crystal lens including the liquid crystal composition. The liquid crystal composition contains one or two or more compounds represented by general formula (i) and one or two or more compounds represented by general formula (ii).
• [EN] COMPOUNDS AS DGAT-1 INHIBITORS<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DE DGAT-1
  申请人：MERCK SHARP & DOHME

  公开号：WO2013130370A2

  公开（公告）日：2013-09-06

  Described herein are compounds of formula I. The compounds of formula I act as DGAT1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for hyperlipidemia, diabetes mellitus and obesity.