2,6-bis((3,4-(methylenedioxy)benzene)carbamoyl)pyridine | 333413-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2,6-bis((3,4-(methylenedioxy)benzene)carbamoyl)pyridine
• 英文别名: Pyridine-2,6-dicarboxylic acid, bis-benzo[1,3]dioxol-5-ylamide；2-N,6-N-bis(1,3-benzodioxol-5-yl)pyridine-2,6-dicarboxamide
• CAS: 333413-20-0
• 化学式: C₂₁H₁₅N₃O₆
• 分子量: 405.367
• InChiKey: DEMYQRQTCIRDDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲酸 、 3,4-亚甲二氧基苯胺 在 吡啶 、 亚磷酸三苯酯 作用下， 反应 6.0h， 以78%的产率得到2,6-bis((3,4-(methylenedioxy)benzene)carbamoyl)pyridine
  参考文献：
  名称：

  Co³⁺-Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule

  摘要：

  This work shows the syntheses, structures, and hydrogen-bonding based self-assembly of Co3+ coordination complexes containing appended phenol and catechol groups. Placement of hydrogen-bond donors (in O-H groups of phenol and catechol) and acceptors (in C=O-amide groups) in a single molecule results in a complementary yet unique self-assembly.

  DOI：

  10.1021/cg201369g

文献信息

• Co³⁺-Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule
  作者：Afsar Ali、Geeta Hundal、Rajeev Gupta

  DOI：10.1021/cg201369g

  日期：2012.3.7

  This work shows the syntheses, structures, and hydrogen-bonding based self-assembly of Co3+ coordination complexes containing appended phenol and catechol groups. Placement of hydrogen-bond donors (in O-H groups of phenol and catechol) and acceptors (in C=O-amide groups) in a single molecule results in a complementary yet unique self-assembly.