2,6-bis(4-methylbenzoate-carbomyl)pyridine | 313554-52-8

• 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: 2,6-bis(4-methylbenzoate-carbomyl)pyridine
• 英文别名: Methyl 4-(6-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyridine-2-amido)benzoate；methyl 4-[[6-[(4-methoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
• CAS: 313554-52-8
• 化学式: C₂₃H₁₉N₃O₆
• mdl: MFCD01535848
• 分子量: 433.42
• InChiKey: UCBMACNHLKSQKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,6-bis(4-methylbenzoate-carbomyl)pyridine 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 生成 4,4'-[(pyridine-2,6-dicarbonyl)bis(azanediyl)]dibenzoic acid
  参考文献：
  名称：

  不同策略下基于Zn（ii）的金属大环化合物和金属有机骨架对一锅脱缩醛-Knoevenagel串联反应的合成和催化活性。

  摘要：

  在存在和不存在下，吡啶基酰胺官能化二羧酸，4,4'-{（吡啶-2,6-二羰基）双（氮杂二基）}二苯甲酸（H 2 L）与硝酸锌（II）之间的溶剂热反应的碱产生双核金属大环化合物[Zn 2（L）2（H 2 O）4 ]·2（H 2 O）·6（DMF）（1）和基于金属大环的二维MOF [Zn 5（L）4（OH）2（H 2 O）4 ] n ·8 n（DMF）·4 n（H 2 O）（2）。化合物1带有两个四面体Zn（II）中心，而2D框架2包含一个五核Zn（II）簇作为二级结构单元，其中两个金属阳离子呈四面体型几何形状，其余三个则为八面体类型几何。拓扑分析显示化合物1具有2个连接的单齿网和骨架2有一个2、8连接的Binodal网。这些化合物非均相地催化在常规加热，微波辐射或超声辐射下进行的串联脱缩醛化-Knoevenagel缩合反应。比较研究表明，超声辐照（反应2小时后最终产物的收率为99％）提供了最

  DOI：

  10.1039/d0dt01312a
• 作为产物：
  描述：

  吡啶-2,6-二甲酸 、 4-氨基苯甲酸甲酯 在 亚磷酸三苯酯 作用下， 以 吡啶 为溶剂， 反应 4.67h， 以98%的产率得到2,6-bis(4-methylbenzoate-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.
• Synthesis and catalytic activities of a Zn(<scp>ii</scp>) based metallomacrocycle and a metal–organic framework towards one-pot deacetalization-Knoevenagel tandem reactions under different strategies: a comparative study
  作者：Anirban Karmakar、Mohamed M. A. Soliman、Guilherme M. D. M. Rúbio、M. Fátima C. Guedes da Silva、Armando J. L. Pombeiro

  DOI：10.1039/d0dt01312a

  日期：——

  reactions between a pyridine based amide functionalized dicarboxylic acid, 4,4′-(pyridine-2,6-dicarbonyl)bis(azanediyl)}dibenzoic acid (H2L), and zinc(II) nitrate in the absence and presence of a base produced the binuclear metallomacrocyclic compound [Zn2(L)2(H2O)4]·2(H2O)·6(DMF) (1) and the metallomacrocyclic based two dimensional MOF [Zn5(L)4(OH)2(H2O)4]n·8n(DMF)·4n(H2O) (2), respectively. Compound 1 bears

  在存在和不存在下，吡啶基酰胺官能化二羧酸，4,4'-（吡啶-2,6-二羰基）双（氮杂二基）}二苯甲酸（H 2 L）与硝酸锌（II）之间的溶剂热反应的碱产生双核金属大环化合物[Zn 2（L）2（H 2 O）4 ]·2（H 2 O）·6（DMF）（1）和基于金属大环的二维MOF [Zn 5（L）4（OH）2（H 2 O）4 ] n ·8 n（DMF）·4 n（H 2 O）（2）。化合物1带有两个四面体Zn（II）中心，而2D框架2包含一个五核Zn（II）簇作为二级结构单元，其中两个金属阳离子呈四面体型几何形状，其余三个则为八面体类型几何。拓扑分析显示化合物1具有2个连接的单齿网和骨架2有一个2、8连接的Binodal网。这些化合物非均相地催化在常规加热，微波辐射或超声辐射下进行的串联脱缩醛化-Knoevenagel缩合反应。比较研究表明，超声辐照（反应2小时后最终产物的收率为99％）提供了最