5-(2,5,8,11-tetraoxatridecan-13-yloxy)isophthalic acid | 935280-00-5

• 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: 5-(2,5,8,11-tetraoxatridecan-13-yloxy)isophthalic acid
• 英文别名: 5-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylic acid
• CAS: 935280-00-5
• 化学式: C₁₇H₂₄O₉
• 分子量: 372.372
• InChiKey: OCOJXVSIYHKBNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5-(2,5,8,11-tetraoxatridecan-13-yloxy)isophthalic acid 在 氯化亚砜 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 5-(2,5,8,11-tetraoxatridecan-13-yloxy)-N¹,N³-di(1,10-phenanthrolin-2-yl)isophthalamide
  参考文献：
  名称：

  Phenanthroline-Derived Ratiometric Chemosensor for Ureas

  摘要：

  The syntheses of 1,10-phenanthroline fluorophore-based chemosensor 7 and its truncated analog 9 are reported. Interactions of these compounds with urea, thiourea, 1,3-dimethylurea, tetrahydropyrimidin-2(1H)-one, imidazolidin-2-one, and selected uronium salts were assessed by three-dimensional excitation-emission spectroscopy, UV-vis absorbance, and fluorescence titrations. Chemosensor 7 was found to be capable of distinguishing between neutral ureas and their salts, by producing a different optical response for each type of compounds. The complexation of urea by 7 was also studied by selective-NOE H-1 NMR, C-13 NMR (using C-13-labeled guest), and MALDI-TOF mass spectrometry. In addition, we performed DFT calculations (B3LYP 3-21g** level) for structures of complexes of 7 with urea, imidazolidin-2-one, and tetrahydropyrimidin-2(1H)-one. Development of chemosensor 7-type compounds in conjunction with differential excitation-emission spectroscopy represents an important step toward the development of novel tools for ureas and their salts analysis.

  DOI：

  10.1021/jo062130h
• 作为产物：
  描述：

  5-羟基间苯二甲酸二甲酯 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 24.0h， 生成 5-(2,5,8,11-tetraoxatridecan-13-yloxy)isophthalic acid
  参考文献：
  名称：

  Phenanthroline-Derived Ratiometric Chemosensor for Ureas

  摘要：

  The syntheses of 1,10-phenanthroline fluorophore-based chemosensor 7 and its truncated analog 9 are reported. Interactions of these compounds with urea, thiourea, 1,3-dimethylurea, tetrahydropyrimidin-2(1H)-one, imidazolidin-2-one, and selected uronium salts were assessed by three-dimensional excitation-emission spectroscopy, UV-vis absorbance, and fluorescence titrations. Chemosensor 7 was found to be capable of distinguishing between neutral ureas and their salts, by producing a different optical response for each type of compounds. The complexation of urea by 7 was also studied by selective-NOE H-1 NMR, C-13 NMR (using C-13-labeled guest), and MALDI-TOF mass spectrometry. In addition, we performed DFT calculations (B3LYP 3-21g** level) for structures of complexes of 7 with urea, imidazolidin-2-one, and tetrahydropyrimidin-2(1H)-one. Development of chemosensor 7-type compounds in conjunction with differential excitation-emission spectroscopy represents an important step toward the development of novel tools for ureas and their salts analysis.

  DOI：

  10.1021/jo062130h

文献信息

• Hydrophobically driven chiral column aggregates of hydrazide macrocycles and side chains-controlled chirality conversion
  作者：Rong Guo、Hui Wang、Dan-Wei Zhang、Zhan-Ting Li

  DOI：10.1016/j.tetlet.2016.06.090

  日期：2016.8

  number of chiral and/or achiral oligo(ethylene glycol) chains, have been synthesized. 1H NMR, fluorescence, UV–vis absorption, and circular dichroism experiments showed that the three macrocycles bearing chiral side chains gave rise to one-dimensional chiral column aggregates in aqueous solution. Remarkably, the chiral side chains at two different positions induced the helicity chirality in opposite

  合成了四个氢键键合的刚性芳族酰肼大环，它们具有不同数量的手性和/或非手性低聚（乙二醇）链。1 H NMR，荧光，紫外可见吸收和圆二色性实验表明，带有手性侧链的三个大环在水溶液中产生一维手性柱聚集体。显着地，在两个不同位置的手性侧链在相反的方向上引起螺旋性手性。
• Morphology-dependent photoresponsive behaviors of a self-assembled system based on a single cyanostilbene derivative
  作者：Yangdaiyi Zhang、Zeyang Ding、Yao Ma、Shimei Jiang

  DOI：10.1039/d2sm00691j

  日期：——

  Under blue light irradiation, the freshly prepared assemblies of nanoparticles lead to a [2+2] cycloaddition reaction, while the Z/E isomerization reaction occurs in the aged assemblies of microbelts.

  在蓝光照射下，新制备的纳米颗粒集合体会发生[2+2]环加成反应，而老化的微带集合体则会发生 Z/E 异构化反应。
• Phenanthroline-Derived Ratiometric Chemosensor for Ureas
  作者：Yoni Engel、Adi Dahan、Emily Rozenshine-Kemelmakher、Michael Gozin

  DOI：10.1021/jo062130h

  日期：2007.3.1

  The syntheses of 1,10-phenanthroline fluorophore-based chemosensor 7 and its truncated analog 9 are reported. Interactions of these compounds with urea, thiourea, 1,3-dimethylurea, tetrahydropyrimidin-2(1H)-one, imidazolidin-2-one, and selected uronium salts were assessed by three-dimensional excitation-emission spectroscopy, UV-vis absorbance, and fluorescence titrations. Chemosensor 7 was found to be capable of distinguishing between neutral ureas and their salts, by producing a different optical response for each type of compounds. The complexation of urea by 7 was also studied by selective-NOE H-1 NMR, C-13 NMR (using C-13-labeled guest), and MALDI-TOF mass spectrometry. In addition, we performed DFT calculations (B3LYP 3-21g** level) for structures of complexes of 7 with urea, imidazolidin-2-one, and tetrahydropyrimidin-2(1H)-one. Development of chemosensor 7-type compounds in conjunction with differential excitation-emission spectroscopy represents an important step toward the development of novel tools for ureas and their salts analysis.