4-Decyloxypyridine-2,6-dicarboxylic acid | 362620-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Decyloxypyridine-2,6-dicarboxylic acid
• 英文别名: 4-(Decyloxy)pyridine-2,6-dicarboxylic acid；4-decoxypyridine-2,6-dicarboxylic acid
• CAS: 362620-05-1
• 化学式: C₁₇H₂₅NO₅
• 分子量: 323.389
• InChiKey: OGCSGRFWMOGVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  96.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Decyloxypyridine-2,6-dicarboxylic acid 在 氯化亚砜 作用下， 反应 1.0h， 生成 4-Decyloxypyridine-2,6-dicarboxylic acid dichloride
  参考文献：
  名称：

  螺旋分子编程：将寡吡啶-二甲酰胺折叠成分子单个螺旋。

  摘要：

  由交替的2，6-二氨基吡啶和2，6-吡啶二羰基单元组成的分子链已被设计成在形成分子内氢键时自组织成单链螺旋结构。五聚体链11、12和14，七聚体链1和20以及非十聚体链15已经使用逐步收敛策略合成。通过对这些化合物中的四种进行单晶X射线衍射分析，已表征了固态的单螺旋构象。来自五聚体链12和14的螺旋延伸一圈，来自七聚体20和非十聚体15种的螺旋分别延伸一圈半和二圈半。分子内氢键负责股线的强烈弯曲。极性和非极性有机溶剂中的1 H NMR位移均表明外围芳族基团之间存在分子内重叠。因此，螺旋构象在溶液中也占主导地位。从高能延伸线性构象异构体开始的链折叠的分子随机动力学模拟显示，快速（在300 K时为600 ps）转变为稳定的螺旋构象。

  DOI：

  10.1002/1521-3765(20010702)7:13<2798::aid-chem2798>3.0.co;2-l
• 作为产物：
  描述：

  在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以18.4 g的产率得到4-Decyloxypyridine-2,6-dicarboxylic acid
  参考文献：
  名称：

  螺旋分子编程：将寡吡啶-二甲酰胺折叠成分子单个螺旋。

  摘要：

  由交替的2，6-二氨基吡啶和2，6-吡啶二羰基单元组成的分子链已被设计成在形成分子内氢键时自组织成单链螺旋结构。五聚体链11、12和14，七聚体链1和20以及非十聚体链15已经使用逐步收敛策略合成。通过对这些化合物中的四种进行单晶X射线衍射分析，已表征了固态的单螺旋构象。来自五聚体链12和14的螺旋延伸一圈，来自七聚体20和非十聚体15种的螺旋分别延伸一圈半和二圈半。分子内氢键负责股线的强烈弯曲。极性和非极性有机溶剂中的1 H NMR位移均表明外围芳族基团之间存在分子内重叠。因此，螺旋构象在溶液中也占主导地位。从高能延伸线性构象异构体开始的链折叠的分子随机动力学模拟显示，快速（在300 K时为600 ps）转变为稳定的螺旋构象。

  DOI：

  10.1002/1521-3765(20010702)7:13<2798::aid-chem2798>3.0.co;2-l

文献信息

• A dinuclear alkynylplatinum(<scp>ii</scp>) pyridinedicarboxamide: conformational change-induced switching of emission properties
  作者：Annika Gross、Toshiyuki Moriuchi、Toshikazu Hirao

  DOI：10.1039/c2cc37706c

  日期：——

  The synthesis and characterisation of a dinuclear pyridinedicarboxamide–platinum(II) complex exhibiting tunable optical properties based on metal–metal interaction are reported. Conformational change-induced switching between metal-to-ligand charge-transfer and metal–metal-to-ligand charge-transfer emission properties by the influence of methanol was demonstrated.

  报告了基于金属-金属相互作用的双核吡啶二甲酰胺-铂（II）复合物的合成和表征，该复合物具有可调的光学性质。 证明了甲醇的影响引起的构象变化引起的金属-配体电荷转移和金属-金属-配体电荷转移发射性质之间的切换。
• Films with photoresponsive wettability
  申请人：McGimpsey Grant W.

  公开号：US20050271975A1

  公开（公告）日：2005-12-08

  In various aspects, the present invention provides substantially monolayer thick molecular films with photoresponsive wettability, the molecules of said films comprising a photochromic molecule coordinated to a metal atom, which is coordinated to an organic tethering molecule, surface coupling group, or both, having a group for attachment to a surface of a substrate. In various aspects, the present inventions also provide photochromic articles comprising said films, methods of forming said films, and methods of manufacturing photochromic articles using said films. In various embodiments, provided are molecular films where the photoconversion between configurations of the photochromic molecule is substantially reversible by irradiation with light. In various embodiments, provided are films where the photoconversion is substantially irreversible by irradiation with light.

  在各个方面，本发明提供了具有光致变色润湿性的基本单层厚分子薄膜，所述薄膜的分子包括与金属原子配位的光致变色分子，该金属原子与有机系链分子、表面偶联基团或两者配位，具有用于附着到基底表面的基团。在各个方面，本发明还提供了包含所述薄膜的光致变色物品、形成所述薄膜的方法以及使用所述薄膜制造光致变色物品的方法。在各种实施方案中，提供了分子薄膜，其中光致变色分子构型之间的光电转换在光照射下基本上是可逆的。在各种实施例中，所提供的薄膜在光照射下的光电转换基本上是不可逆的。
• Synthesis and Properties of Oligocarboxamide Molecular Strands Containing 1,8-Naphthyridine and Pyridine Groups
  作者：Hisakazu Miyamoto、Takahiro Ikeuchi、Atsushi Fujioka、Jean-Marie Lehn、Shigeru Ohba、Yohji Misaki

  DOI：10.3987/com-06-10833

  日期：——

  Oligocarboxamide molecular strands based on carboxamide between 1,8-naphthyridine and pyridine, pyridine and pyridine, 1,8-naphthyridine and benzene, and pyridine and benzene have been prepared. They have afforded various inclusion complexes with organic solvents. Structural features of the inclusion complexes determined by X-Ray crystal structure analyses are described.
• Helical Molecular Programming: Supramolecular Double Helices by Dimerization of Helical Oligopyridine-dicarboxamide Strands
  作者：Volker Berl、Ivan Huc、Richard G. Khoury、Jean-Marie Lehn

  DOI：10.1002/1521-3765(20010702)7:13<2810::aid-chem2810>3.0.co;2-5

  日期：2001.7.2

  Helically preorganized oligopyridine-dicarboxamide strands are found to undergo dimerization into double helical supramolecular architectures. Dimerization of single helical strands with five or seven pyridine rings has been characterized by NMR and mass spectrometry in various solvent/ temperature conditions. Solution studies and stochastic dynamic simulations consistently show an increasing duplex stability with increasing strand length. The double helical structures of three different dimers was characterized in the solid phase by X-ray diffraction analysis. Both aromatic stacking and hydrogen bonding contribute the double helical arrangement of the oligopyridine-dicarboxamide strand. Inter-strand interactions involve extensive face-to-face overlap between aromatic rings, which is not possible in the single helical monomers. Most hydrogen bonds occur within each strand of the duplex and stabilize its helical shape. Some inter-strand hydrogen bonds are found in the crystal structures. Dynamic studies by NMR as well as by molecular modeling computations yield structural and kinetic information on the double helices and on monomer-dimer interconversion. In addition, they reveal the presence of a spring-like extension/compression as well as rotational displacement motions.
• US7326526B2
  申请人：——

  公开号：US7326526B2

  公开（公告）日：2008-02-05