{2-[4-(2-carboxymethoxy-ethoxy)-phenoxy]-ethoxy}-acetic acid | 181725-36-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: {2-[4-(2-carboxymethoxy-ethoxy)-phenoxy]-ethoxy}-acetic acid
• 英文别名: 2-[2-[4-[2-(Carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
• CAS: 181725-36-0
• 化学式: C₁₄H₁₈O₈
• 分子量: 314.292
• InChiKey: NNSIEXCPPLUSTA-UHFFFAOYSA-N

物化性质

• 沸点：
  564.3±50.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  {2-[4-(2-carboxymethoxy-ethoxy)-phenoxy]-ethoxy}-acetic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 59.0h， 生成 [2-(4-{2-[5-Chloro-2-(2,4-dichloro-phenoxy)-phenoxycarbonylmethoxy]-ethoxy}phenoxy)-ethoxy]-acetic acid 5-chloro-2-(2,4-dichloro-phenoxy)-phenyl ester
  参考文献：
  名称：

  Functionalized biodegradable triclosan monomers and oligomers for controlled release

  摘要：

  这项发明涉及发现功能化三氯生脂单体和寡聚体，当它们被纳入医疗设备或作为涂层的一部分应用于医疗设备和/或消费品时，可以延长医疗设备和/或消费品的抗菌性能持续时间。

  公开号：

  US08053591B2
• 作为产物：
  描述：

  Tert-butyl 2-[2-[4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]phenoxy]ethoxy]acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以84%的产率得到{2-[4-(2-carboxymethoxy-ethoxy)-phenoxy]-ethoxy}-acetic acid
  参考文献：
  名称：

  [2] 假轮烷自组装中的对映选择性歧视

  摘要：

  富 π 电子底物的 (RR) 和 (SS) 对映异构体络合自由能的差异范围为 0.1 至 0.7 kcal mol-1。手性中心越靠近对苯二酚模板单元，手性识别变得越有效。CD 光谱显示，轴向手性四阳离子环芳对映体底物的不同结合模式并未伴随 [2] 假轮烷的完全不同的核心几何形状。因此，复合物的手性主要受刚性受体的性质控制。已发现受体的 D2 对称性与底物的 C2 对称性的组合特别有效，

  DOI：

  10.1002/(sici)1099-0690(199806)1998:6<983::aid-ejoc983>3.0.co;2-w

文献信息

• Syntheses of Ligands Containing Two and Three 2,2’-(Bisamino)diphenyl Ether Units Designed for Molecular Self-Assembly on Lithiation
  作者：Peter R. Ashton、Bernd Hörner、Oldrich Kocian、Stephan Menzer、Andrew J.P. White、J. Fraser Stoddart、David J. Williams

  DOI：10.1055/s-1996-4319

  日期：1996.8

  The syntheses of polyamines containing two or three 2,2’-(bisamino)diphenyl ether units linked together, designed for self-assembly following lithiation, are reported. The X-ray crystal structures of two of the bis[2,2’(bisamido)diphenyl ethers] are described. The ligand, which is linked by an ethylene glycol spacer, exhibits a coiled conformation constrained by intramolecular hydrogen bonds and supplemented by [CH-π] interactinos. The ligand, which is linked by a more rigid bridge, containing a paraphenylene unit, displays a stretched conformation stabilised by intramolecular hydrogen bonds and intramolecular T-type aromatic-aromatic edge-to-face interactions.

  报道了含有两个或三个2,2'-(双氨基)二苯醚单元的聚胺的合成，这些聚胺设计用于在锂化后自组装。描述了两种双[2,2'-(双酰胺)二苯醚]的X射线晶体结构。该配体由乙二醇间隔连接，呈现出受内部分子氢键约束的卷曲构象，并辅以[CH-π]相互作用。另一个配体由更刚性的桥连接，含有对苯基单元，显示出由内部分子氢键和内部分子T型芳香-芳香边缘对面的相互作用稳定的拉伸构象。
• FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE
  申请人：Bezwada Rao S.

  公开号：US20090105352A1

  公开（公告）日：2009-04-23

  This invention relates to the discovery of functionalized triclosan monomers and oligomers that, when incorporated into a substrate of, or applied as part of a coating to, medical devices and/or consumer products may extend the duration of antimicrobial properties to the medical devices and/or consumer products.

  这项发明涉及发现的功能化三氯生单体和寡聚体，当它们被纳入医疗设备的基质中，或作为涂层的一部分应用于医疗设备和/或消费品时，可以延长医疗设备和/或消费品的抗菌性能持续时间。
• CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS
  申请人：Bezwada Rao S.

  公开号：US20090060979A1

  公开（公告）日：2009-03-05

  The present invention relates to biodegradable polymers (e.g., polyesters and polyester amides) derived from functionalized biologically active compounds that can provide site specific delivery of bioactive compounds upon biodegradation in a controlled manner.

  本发明涉及由功能化的生物活性化合物衍生出的可生物降解聚合物（例如聚酯和聚酰胺），这些聚合物可以在控制的方式下在生物降解时提供生物活性化合物的位点特异性输送。
• Structure−Reactivity Relationship in Interlocked Molecular Compounds and in Their Supramolecular Model Complexes
  作者：Masumi Asakawa、Christopher L. Brown、Stephan Menzer、Françisco M. Raymo、J. Fraser Stoddart、David J. Williams

  DOI：10.1021/ja962937z

  日期：1997.3.1

  Examination of the pseudorotaxane-like geometries adopted in the solid state by a series of 1:1 complexes revealed significant differences in the hydrogen bonding interactions between oxygen atoms in some hydroquinone-based guests carrying polyether/polyester functions and the acidic hydrogen atoms on the bipyridinium units of the host-cyclobis(paraquat-p-phenylene). These differences are reflected directly in the stabilities of the complexes in solution and dramatic changes in the magnitudes of their association constants (K-a values ranging from 130 to 4300 M(-1) in MeCN at 25 degrees C) are observed upon varying the location of the carbonyl ester function(s) along the polyether/ester chains. A similar effect (K-a values ranging from 5 to 730 M(-1) in Me(2)CO at 25 degrees C) was observed in the binding of paraquat as its bipyridinium bis(hexafluorophosphate) salt by analogous macrocyclic hydroquinone-based mono- and bis-lactones. Investigations of the kinetics of hydrolyses of the ester functions revealed that - while inert in their free forms - the macrocyclic mono- and bis-lactones undergo hydrolysis when incorporated within [2]catenanes composed of one of these macrocyclic lactones and cyclobis(paraquat-p-phenylene). Presumably, the enhanced reactivity of the ester functions is a result of [C-H ... O] hydrogen bonding interactions involving the ester carbonyl oxygen atoms and the acidic hydrogen atoms on the bipyridinium units, as suggested by single-crystal X-ray crystallographic analyses. Thus, cyclobis(paraquat-p-phenylene) can act as a mechanically-interlocked ''catalyst''.
• US8053591B2
  申请人：——

  公开号：US8053591B2

  公开（公告）日：2011-11-08