2-(3-ethylbenzoate-carbomyl)pyridine | 333419-50-4

• 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: 2-(3-ethylbenzoate-carbomyl)pyridine
• 英文别名: Ethyl 3-[(pyridin-2-ylcarbonyl)amino]benzoate；ethyl 3-(pyridine-2-carbonylamino)benzoate
• CAS: 333419-50-4
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: GFLPYDOTHIMJIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-ethylbenzoate-carbomyl)pyridine 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以84%的产率得到N-(3-carboxylphenyl)pyridine-2'-carboxamide
  参考文献：
  名称：

  基于镧系元素的配位聚合物用于硝基芳香族化合物的尺寸选择检测

  摘要：

  镧系配位聚合物（LnCPs），[Eu（HL）3（CH 3 OH）2 ] n（1）和[Tb（HL）3（CH 3 OH）（H 2 O）] n ·H 2 O（2） （H 2L ＝ 3-（吡啶并氨基）苯甲酸）），已经合成并表征。对两种LnCP的单晶分析表明，HL配体不仅与Ln离子配位，而且充当它们之间的桥梁，生成一维（1D）链。此类1D链通过H键相互作用的中介进一步打包成三维（3D）架构。两种LnCP均提供了战略性放置的暴露的Lewis碱性位点，这些位点可能与缺乏电子的硝基芳族化合物相互作用，而具有疏水通道的H键键3D结构允许它们轻松地包含在网络中。一个显着的特征是硝基芳香族化合物的尺寸依赖性感测，其潜在控制可能是将1D链堆积到3D体系结构中。两种LnCP都可作为荧光传感器，用于快速，灵敏，

  DOI：

  10.1021/acs.cgd.7b00536
• 作为产物：
  描述：

  2-吡啶甲酸 、 3-氨基苯甲酸乙酯 在 亚磷酸三苯酯 作用下， 以 吡啶 为溶剂， 反应 4.67h， 以87%的产率得到2-(3-ethylbenzoate-carbomyl)pyridine
  参考文献：
  名称：

  Cobalt Complexes Appended with para- and meta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies

  摘要：

  The present work shows the syntheses, structures, and hydrogen-bonding-based self-assembly of Co3+ coordination complexes containing appended arylcarboxylic acid groups. The carboxylic acid groups are present at either the para or the meta position of the appended arene ring. Every Co3+ coordination complex offers both hydrogen-bond donors (in O-H groups of atylcarboxylic acid) and acceptors (in C=O-amide groups as well as C=O-acid of arylcarboxylic acid) in a single molecule. As a consequence, all molecules self-assemble in a highly complementary and unique structural fashion via an array of inter- and intramolecular hydrogen bonding. The position of carboxylic acid, presence of cation, type of cation, and solvent of crystallization has significantly affected/altered the self-assembly process of complementary functional groups.

  DOI：

  10.1021/cg3011629

文献信息

• Cobalt Complexes Appended with <i>para</i>- and <i>meta</i>-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies
  作者：Girijesh Kumar、Himanshu Aggarwal、Rajeev Gupta

  DOI：10.1021/cg3011629

  日期：2013.1.2

  The present work shows the syntheses, structures, and hydrogen-bonding-based self-assembly of Co3+ coordination complexes containing appended arylcarboxylic acid groups. The carboxylic acid groups are present at either the para or the meta position of the appended arene ring. Every Co3+ coordination complex offers both hydrogen-bond donors (in O-H groups of atylcarboxylic acid) and acceptors (in C=O-amide groups as well as C=O-acid of arylcarboxylic acid) in a single molecule. As a consequence, all molecules self-assemble in a highly complementary and unique structural fashion via an array of inter- and intramolecular hydrogen bonding. The position of carboxylic acid, presence of cation, type of cation, and solvent of crystallization has significantly affected/altered the self-assembly process of complementary functional groups.
• Lanthanide-Based Coordination Polymers for the Size-Selective Detection of Nitroaromatics
  作者：Sumit Srivastava、Bipin Kumar Gupta、Rajeev Gupta

  DOI：10.1021/acs.cgd.7b00536

  日期：2017.7.5

  offer strategically placed exposed Lewis basic sites, which potentially interact with the electron-deficient nitroaromatics, whereas H-bonded 3D architecture having hydrophobic channels allows their facile inclusion within the network. A notable feature is the size-dependent sensing of nitroaromatics potentially governed by the packing of 1D chains into a 3D architecture. Both LnCPs act as the fluorescent

  镧系配位聚合物（LnCPs），[Eu（HL）3（CH 3 OH）2 ] n（1）和[Tb（HL）3（CH 3 OH）（H 2 O）] n ·H 2 O（2） （H 2L ＝ 3-（吡啶并氨基）苯甲酸）），已经合成并表征。对两种LnCP的单晶分析表明，HL配体不仅与Ln离子配位，而且充当它们之间的桥梁，生成一维（1D）链。此类1D链通过H键相互作用的中介进一步打包成三维（3D）架构。两种LnCP均提供了战略性放置的暴露的Lewis碱性位点，这些位点可能与缺乏电子的硝基芳族化合物相互作用，而具有疏水通道的H键键3D结构允许它们轻松地包含在网络中。一个显着的特征是硝基芳香族化合物的尺寸依赖性感测，其潜在控制可能是将1D链堆积到3D体系结构中。两种LnCP都可作为荧光传感器，用于快速，灵敏，