2-(2-(2-(naphthalen-2-yloxy)ethoxy)ethoxy)ethanol | 96574-08-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(2-(2-(naphthalen-2-yloxy)ethoxy)ethoxy)ethanol
• 英文别名: 8-(2-Naphthyloxy)-3,6-dioxa-1-octanol；triethylene glycol 2-naphthyl ether；NpTEG；2-[2-(2-Naphthalen-2-yloxyethoxy)ethoxy]ethanol
• CAS: 96574-08-2
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: HQLUTBNTVOCXTI-UHFFFAOYSA-N

物化性质

• 沸点：
  444.3±30.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(naphthalen-2-yloxy)ethoxy)ethoxy)ethanol 在 盐酸 、 sodium hydride 作用下， 以 吡啶 为溶剂， 反应 24.0h， 生成 1-(3,5-Dinitrobenzoyloxy)-14-(2-naphthyloxy)-3,6,9,12-tetraoxatetradecan
  参考文献：
  名称：

  Loehr, Hans-Gerd; Voegtle, Fritz, Chemische Berichte, 1985, vol. 118, # 3, p. 914 - 921

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯乙氧基-2-乙氧基二乙醇 、 2-萘酚 在 氢氧化钾 作用下， 以 正丁醇 为溶剂， 反应 16.0h， 以70%的产率得到2-(2-(2-(naphthalen-2-yloxy)ethoxy)ethoxy)ethanol
  参考文献：
  名称：

  Discrete, multi-component complexes with cucurbit[8]uril in the gas-phase

  摘要：

  该研究描述了模块化、多组分、主客体复合物的形成过程，这些复合物在水中和气相中都很稳定；通过调节水溶液中不同亚基的化学计量，可以实现预测的理想结构的定量自组装，甚至可以实现在气相中稳定的 ABA 三嵌段共聚物组装。

  DOI：

  10.1039/b818369d

文献信息

• SUPRAMOLECULAR HANDCUFFS IN POLYMERIC ARCHITECTURE
  申请人：Rauwald Urs

  公开号：US20100247477A1

  公开（公告）日：2010-09-30

  This invention pertains generally to supramolecular polymers comprising a polymeric molecule linked to a first CB[8] guest molecule and an attachment compound linked to a second CB[8] guest molecule, wherein the first and second CB[8] guest molecules form a ternary host-guest complex with a CB[8] molecule which non-covalently links the polymeric molecule and the attachment compound in a supramolecular polymer. These polymers are useful as vehicles for delivery of a therapeutic compound for use in a method of treatment of the human or animal body, in particular for use in a method of delivering the therapeutic compound to a target site in an individual. The invention also provides methods for the preparation of the supramolecular polymers.

  这项发明涉及一般的超分子聚合物，包括将聚合物分子与第一个CB[8]宾主分子连接，并将附着化合物与第二个CB[8]宾主分子连接，其中第一个和第二个CB[8]宾主分子与CB[8]分子形成三元宿主-客体复合物，CB[8]分子非共价地连接聚合物分子和附着化合物形成超分子聚合物。这些聚合物可用作传递治疗化合物的载体，用于治疗人体或动物体的方法，特别是用于将治疗化合物传递到个体的靶位点的方法。该发明还提供了制备超分子聚合物的方法。
• Cucurbit[8]uril and Blue-Box: High-Energy Water Release Overwhelms Electrostatic Interactions
  作者：Frank Biedermann、Michele Vendruscolo、Oren A. Scherman、Alfonso De Simone、Werner M. Nau

  DOI：10.1021/ja407951x

  日期：2013.10.2

  simulations and calorimetric measurements. We illustrate the procedure in the case of self-assembled 1:1 complexes of the rigid macrocycle cucurbit[8]uril (CB8) and dicationic auxiliary guests (AG). These CB8•AG complexes contain residual water molecules whose conformational space and hydrogen-bond formation ability is restricted by the geometrically confined and hydrophobic cavity of the receptor. We show

  在水溶液中操作的高亲和力和分析物选择性受体的设计是超分子化学中的一个突出问题。将重点放在水的独特性质上，我们在这里提出了实现这一目标的新策略，并通过分子动力学模拟和量热测量来支持它。我们说明了在刚性大环葫芦 [8] uril (CB8) 和双阳离子辅助客体 (AG) 的自组装 1:1 复合物的情况下的程序。这些CB8•AG复合物含有残留的水分子，其构象空间和氢键形成能力受到受体几何限制和疏水腔的限制。我们表明，在包含分析物以形成 1:1:1 CB8•AG•分析物复合物后，这些“高能”腔水分子被释放到水体中，为关联提供强大的焓​​驱动力，并导致芳香族分析物的结合常数高达 10(6) M(-1)。这种结合模型得到了大溶剂和溶剂同位素效应的测量的支持。CB8•AG 受体的选择性可以通过辅助客体的合理选择来改变甚至转向小的脂肪族分析物，证明了这种自组装受体的可调识别特征。此外，通过将结果与广泛研究
• Discrete, multi-component complexes with cucurbit[8]uril in the gas-phase
  作者：Stéphanie Deroo、Urs Rauwald、Carol V. Robinson、Oren A. Scherman

  DOI：10.1039/b818369d

  日期：——

  The formation of modular, multi-component, host–guest complexes stable both in water and in the gas-phase is described; by modulating the stoichiometry of the different subunits in aqueous solution, quantitative self-assembly of the predicted and desired architecture is achieved, even allowing for ABA triblock copolymer assemblies stable in the gas-phase.

  该研究描述了模块化、多组分、主客体复合物的形成过程，这些复合物在水中和气相中都很稳定；通过调节水溶液中不同亚基的化学计量，可以实现预测的理想结构的定量自组装，甚至可以实现在气相中稳定的 ABA 三嵌段共聚物组装。
• Improvements in Diesel fuel compositions
  申请人：Infineum International Limited

  公开号：EP1884556A2

  公开（公告）日：2008-02-06

  A diesel fuel composition comprising a major amount of a diesel fuel, a minor amount of at least one metallic species and a minor amount of a detergent additive; wherein the detergent additive comprises at least one compound of formula (I) and/or formula (II): wherein each Ar independently represents an aromatic moiety having 0 to 3 substituents selected from the group consisting of alkyl, alkoxy, alkoxyalkyl, aryloxy, aryloxyalkyl, hydroxy, hydroxyalkyl, halo and combinations thereof; each L is independently a linking moiety comprising a carbon-carbon single bond or a linking group; each Y is independently -OR1" or a moiety of the formula H(O(CR12)n)yX-, wherein X is selected from the group consisting of (CR1'2)z, O and S; R1 and R1' are each independently selected from H, C1 to C6 alkyl and aryl; R1" is selected from C1 to C100 alkyl and aryl; z is 1 to 10; n is 0 to 10 when X is (CR1'2)z, and 2 to 10 when X is O or S; and y is 1 to 30; each a is independently 0 to 3, with the proviso that at least one Ar moiety bears at least one group Y; and m is 1 to 100; wherein: each Ar' independently represents an aromatic moicty having 0 to 3 substituents selected from the group consisting of alkyl, alkoxy, alkoxyalkyl, hydroxy, hydroxyalkyl, acyloxy, acyloxyalkyl, acyloxyalkoxy, aryloxy, aryloxyalkyl, aryloxyalkoxy, halo and combinations thereof; each L' is independently a linking moiety comprising a carbon-carbon single bond or a linking group; each Y' is independently a moiety of the formula ZO- or Z(O(CR22)n')y'X'-, wherein X' is selected from the group consisting of (CR2'2)z, O and S; R2 and R2' are each independently selected from H, C1 to C6 alkyl and aryl; z' is 1 to 10; n' is 0 to 10 when X' is (CR2'2)z', and 2 to 10 when X' is O or S; y' is 1 to 30; Z is H, an acyl group, a polyacyl group, a lactone ester group, an acid ester group, an alkyl group or an aryl group; each a' is independently 0 to 3, with the proviso that at least one Ar' moiety bears at least one group Y' in which Z is not H; and m' is 1 to 100.

  一种柴油燃料组合物，包括大量柴油、少量至少一种金属物质和少量清净剂添加剂；其中清净剂添加剂包括至少一种式 (I) 和/或式 (II) 的化合物： 其中每个 Ar 独立地代表具有 0 至 3 个取代基的芳香族基团，这些取代基可从烷基、烷氧基、烷氧基烷基、芳氧基、芳氧基烷基、羟基、羟基烷基、卤素及其组合组成的组中选出； 每个 L 都是独立的连接分子，包括碳-碳单键或连接基团； 每个 Y 独立地为-OR1 "或式 H(O(CR12)n)yX-的分子，其中 X 选自 (CR1'2)z、O 和 S 组成的组；R1 和 R1'各自独立地选自 H、C1 至 C6 烷基和芳基；R1 "选自 C1 至 C100 烷基和芳基；z 为 1 至 10；当 X 为 (CR1'2)z 时，n 为 0 至 10，当 X 为 O 或 S 时，n 为 2 至 10；以及 y 为 1 至 30； 每个 a 独立地为 0 至 3，但至少一个 Ar 分子带有至少一个基团 Y；以及 m 为 1 至 100； 其中 每个 Ar'独立地代表具有 0 至 3 个取代基的芳香族分子，这些取代基选 自烷基、烷氧基、烷氧基烷基、羟基、羟基烷基、酰氧基、酰氧基烷基、酰氧基 烷氧基、芳氧基、芳氧基烷基、芳氧基烷氧基、卤素及其组合组成的组； 每个 L'都是独立的连接分子，包括碳碳单键或连接基团； 每个 Y'独立地是式 ZO- 或 Z(O(CR22)n')y'X'-的分子，其中 X'选自由 (CR2'2)z、O 和 S 组成的组；R2 和 R2'各自独立地选自由 H、C1 至 C6 烷基和芳基；z' 为 1 至 10；当 X' 为 (CR2'2)z' 时，n' 为 0 至 10，当 X' 为 O 或 S 时，n' 为 2 至 10；y' 为 1 至 30；Z 为 H、酰基、多酰基、内酯基、酸酯基、烷基或芳基； 每个 a'独立地为 0 至 3，但至少一个 Ar'分子带有至少一个 Z 不是 H 的基团 Y'；以及 m' 为 1 至 100。
• Diesel fuel compositions
  申请人：Caprotti Rinaldo

  公开号：US20080028672A1

  公开（公告）日：2008-02-07

  A diesel fuel composition made up of a major amount of a diesel fuel, a minor amount of at least one metallic species and a minor amount of a detergent additive is disclosed. The detergent additive includes a compound of formula: wherein: each Ar independently represents an aromatic moiety having 0 to 3 substituents selected from the group consisting of alkyl alkoxy, alkoxyalkyl, hydroxy, hydroxyalkyl, halo and combinations thereof or additionally, in the case of formula II, acyloxy, acyloxyalkyl, aryloxy, aryloxy alkyl, halo and combinations thereof, each L is independently a linking moiety comprising a carbon-carbon single bond or a linking group; each Y is independently a moiety of the formula H(O(CR 2 ) n ) y X—, wherein X is selected from the group consisting of (CR′ 2 ) 2 , O and S; R and R′ are each independently selected from H, C 1 to C 6 alkyl and aryl; z is 1 to 10; n is 0 to 10 when X is (CR′ 2 ) 7 , and 2 to 10 when X is O or S; and y is 1 to 30; each Y′ is independently a moiety of the formula Z(O(CR 2 ) n ) y X—, wherein X is selected from the group consisting of (CR′ 2 ) 2 , O and S; R and R′ are each independently selected from H, C 1 to C 6 alkyl and aryl; z is 1 to 10; n is 0 to 10 when X is (CR′ 2 ) z , and 2 to 10 when X is O or S; y is 1 to 30; Z is H, an acyl group, an alkyl group or an aryl group; each a is independently 0 to 3, with the proviso that in formula (I), at least one Ar moiety bears at least one group Y; and with the proviso that in formula (II), at least one Ar moiety bears at least one group Y′ in which Z is not H; and m is 1 to 100.