3-((4-pyridinylmethyl)amino)benzoic acid | 714213-01-1

• 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-((4-pyridinylmethyl)amino)benzoic acid
• 英文别名: 3-[(Pyridin-4-ylmethyl)-amino]-benzoic acid；3-(pyridin-4-ylmethylamino)benzoic acid
• CAS: 714213-01-1
• 化学式: C₁₃H₁₂N₂O₂
• mdl: MFCD04560855
• 分子量: 228.25
• InChiKey: CFXLJICVRPHVAR-UHFFFAOYSA-N

物化性质

• 沸点：
  463.1±30.0 °C(Predicted)
• 密度：
  1.301±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  cobalt(II) nitrate hexahydrate 、 3-((4-pyridinylmethyl)amino)benzoic acid 、 水 以 N,N-二甲基甲酰胺 为溶剂， 以35%的产率得到bis(3-((4-pyridinylmethyl)amino)benzoato)(3-((4-pyridinylmethyl)amino)benzoic acid)cobalt hemisolvate
  参考文献：
  名称：

  Syntheses, crystal structures and characterizations of six coordination polymers from reduced Schiff base ligands

  摘要：

  Six coordination polymers from reduced Schiff base ligands, namely, [Zn(L-1)(2)]center dot 2H(2)O (1), [Ni(L-1)(2)]center dot 2H(2)O (2), [Ni(L-1)(2)(H2O)(2)] (3), [Zn(L-2)(2)]center dot H2O (4), [Ni(L-2)(2)]center dot 0.5H(2)O (5), and [Co(L-2)(2)(HL2)] (6) (HL1 = 4-((4-pyridinylmethyl)amino)benzoic acid, HL2 = 3-((4-pyridinylmethyl)amino)benzoic acid) have been obtained by hydrothermal method and studied by single crystal X-ray diffraction, elemental analyses, powder X-ray diffraction, thermogravimetric analysis and infrared spectroscopy. Compounds 1 and 2 are isostructural while compounds 4 and 5 also are isostructural. All these four compounds exhibit a 2D layer structure. Compound 2 is isomeric to 3 but has a chain structure. Compound 6 also exhibits a chain structure. The photoluminescence properties of compounds 1 and 4 were studied. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.02.029

文献信息

• Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase
  申请人：Yale University

  公开号：US20150272939A1

  公开（公告）日：2015-10-01

  The present invention includes a novel high-throughput screen capable of identifying compounds that inhibit JARID1B demethylase activity or JARID1A demethylase activity. The present invention further includes novel inhibitors of JARID1B demethylase activity and/or JARID1A demethylase activity, and methods using the same.
• LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：Chi Mei Corporation

  公开号：US20170152443A1

  公开（公告）日：2017-06-01

  A liquid crystal alignment agent allowing formation of an LCD element having good reliability and less residual image, a liquid crystal alignment film, and an LCD element having the liquid crystal alignment film are shown. The liquid crystal alignment agent includes a polymer (A), a photosensitive polysiloxane (B), and a solvent (C). The polymer (A) is obtained by reacting a mixture that includes a tetracarboxylic dianhydride component (a-1) and a diamine component (a-2). The photosensitive polysiloxane (B) is obtained by reacting a polysiloxane (b-1) having an epoxy group with a cinnamic acid derivative (b-2) and an aromatic heterocyclic derivative (b-3) containing nitride, oxide or sulfide.
• Syntheses, crystal structures and characterizations of six coordination polymers from reduced Schiff base ligands
  作者：Shao-Ming Ying

  DOI：10.1016/j.ica.2012.02.029

  日期：2012.5

  Six coordination polymers from reduced Schiff base ligands, namely, [Zn(L-1)(2)]center dot 2H(2)O (1), [Ni(L-1)(2)]center dot 2H(2)O (2), [Ni(L-1)(2)(H2O)(2)] (3), [Zn(L-2)(2)]center dot H2O (4), [Ni(L-2)(2)]center dot 0.5H(2)O (5), and [Co(L-2)(2)(HL2)] (6) (HL1 = 4-((4-pyridinylmethyl)amino)benzoic acid, HL2 = 3-((4-pyridinylmethyl)amino)benzoic acid) have been obtained by hydrothermal method and studied by single crystal X-ray diffraction, elemental analyses, powder X-ray diffraction, thermogravimetric analysis and infrared spectroscopy. Compounds 1 and 2 are isostructural while compounds 4 and 5 also are isostructural. All these four compounds exhibit a 2D layer structure. Compound 2 is isomeric to 3 but has a chain structure. Compound 6 also exhibits a chain structure. The photoluminescence properties of compounds 1 and 4 were studied. (C) 2012 Elsevier B.V. All rights reserved.