{2-[4-(2-Chlorocarbonylmethoxy-ethoxy)-phenoxy]-ethoxy}-acetyl chloride | 181725-37-1

• 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-Chlorocarbonylmethoxy-ethoxy)-phenoxy]-ethoxy}-acetyl chloride
• 英文别名: 2-[2-[4-[2-(2-Chloro-2-oxoethoxy)ethoxy]phenoxy]ethoxy]acetyl chloride
• CAS: 181725-37-1
• 化学式: C₁₄H₁₆Cl₂O₆
• 分子量: 351.183
• InChiKey: ZGSKJNUTFWBQLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {2-[4-(2-Chlorocarbonylmethoxy-ethoxy)-phenoxy]-ethoxy}-acetyl chloride 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 N-(2-methoxyethyl)-2-[2-[2-[2-[4-[2-[2-[2-[2-(2-methoxyethylamino)phenoxy]anilino]ethoxy]ethoxy]phenoxy]ethoxy]ethylamino]phenoxy]aniline
  参考文献：
  名称：

  Syntheses of Ligands Containing Two and Three 2,2’-(Bisamino)diphenyl Ether Units Designed for Molecular Self-Assembly on Lithiation

  摘要：

  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。

  DOI：

  10.1055/s-1996-4319
• 作为产物：
  描述：

  {2-[4-(2-carboxymethoxy-ethoxy)-phenoxy]-ethoxy}-acetic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 苯 为溶剂， 反应 16.0h， 以100%的产率得到{2-[4-(2-Chlorocarbonylmethoxy-ethoxy)-phenoxy]-ethoxy}-acetyl chloride
  参考文献：
  名称：

  Syntheses of Ligands Containing Two and Three 2,2’-(Bisamino)diphenyl Ether Units Designed for Molecular Self-Assembly on Lithiation

  摘要：

  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。

  DOI：

  10.1055/s-1996-4319

文献信息

• Functionalized biodegradable triclosan monomers and oligomers for controlled release
  申请人：Bezwada Biomedical, LLC

  公开号：US08053591B2

  公开（公告）日：2011-11-08

  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。
• 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。
• 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
• US8232422B2
  申请人：——

  公开号：US8232422B2

  公开（公告）日：2012-07-31