2-[[34-(Carboxymethoxy)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxy]acetic acid | 1593914-92-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 2-[[34-(Carboxymethoxy)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxy]acetic acid
• 英文别名: 2-[[34-(carboxymethoxy)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxy]acetic acid
• CAS: 1593914-92-1
• 化学式: C₄₇H₅₀O₁₄
• 分子量: 838.906
• InChiKey: FYOPQJJGBHRSFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  1047.7±65.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  61
• 可旋转键数：
  14
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  167
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2-[[34-(Carboxymethoxy)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxy]acetic acid 、 三乙烯四胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 48.0h， 以28%的产率得到
  参考文献：
  名称：

  柱[5]氮冠伪[1]链的酸/碱可调单分子手性转换

  摘要：

  刺激响应单分子手性转换是一个非常有趣的话题，因为分子结构及其功能可以通过转换过程同时进行调整。在此，报道了一种基于柱[5]氮冠假[1]链的新型酸/碱可调单分子手性转换系统。双环柱[5]氮冠假[1]环链烯PN4是通过将氮冠环融合到柱[5]芳烃的一个重复单元上而合成的。质子化和去质子化可以可逆地调节 PN4 在自包含和自排斥结构之间的构象转换，从而导致假 [1] 链的手性反转。NMR 光谱、圆二色性光谱和单晶结构证明了这些过程。

  DOI：

  10.1021/jacs.0c10570
• 作为产物：
  描述：

  Methyl 2-[[9,14,19,24,26,28,30,32-octamethoxy-34-(2-methoxy-2-oxoethoxy)-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxy]acetate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以93%的产率得到2-[[34-(Carboxymethoxy)-9,14,19,24,26,28,30,32-octamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl]oxy]acetic acid
  参考文献：
  名称：

  Proton Transfer in Host–Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines

  摘要：

  Host-guest complexation between a novel difunctional pillar[S]arene-based host H and alkyldiamines was fully investigated in both solution and the solid state. Proton transfer from the carboxylic acid groups to the amine units occurred in the principle by undergoing an acid base reaction. Driven by the cooperativity of electrostatic interactions, multiple C-H center dot center dot center dot pi interactions, and H-bonds, the guests penetrated into the cavity of H to form pseudorotaxane-type inclusion complexes with relatively high binding affinities.

  DOI：

  10.1021/ol500857w

文献信息

• A color-tunable fluorescent pillararene coordination polymer for efficient pollutant detection
  作者：Xiang-Shuai Li、Yong-Fu Li、Jia-Rui Wu、Xin-Yue Lou、Junyou Han、Jianchun Qin、Ying-Wei Yang

  DOI：10.1039/c9ta13776a

  日期：——

  A color-tunable pillarene coordination polymer (DCP5-Eu₁Tb₃) with attractive white-light emission properties and capable of nitroaromatic pollutant detection in biological platforms was constructed.

  一种具有可调颜色的柱芳烃配位聚合物（DCP5-Eu₁Tb₃），具有引人注目的白光发射特性，并能够在生物平台中检测硝基芳香污染物，已被构建。
• Proton transfer-assisted host–guest complexation between a difunctional pillar[5]arene and amine-based guests
  作者：Bin Hua、Guocan Yu

  DOI：10.1016/j.tetlet.2014.09.092

  日期：2014.11

  Proton transfer from a difunctional pillar[5]arene containing two carboxylic acid moieties to amine-based guests occurs in the host–guest complexation. The binding affinities are enhanced effectively due to the existence of electrostatic interactions.

  质子从含两个羧酸部分的双官能柱[5]芳烃转移到基于胺的客体中，发生在客体-客体络合中。由于存在静电相互作用，有效地提高了结合亲和力。
• Proton Transfer in Host–Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines
  作者：Guocan Yu、Bin Hua、Chengyou Han

  DOI：10.1021/ol500857w

  日期：2014.5.2

  Host-guest complexation between a novel difunctional pillar[S]arene-based host H and alkyldiamines was fully investigated in both solution and the solid state. Proton transfer from the carboxylic acid groups to the amine units occurred in the principle by undergoing an acid base reaction. Driven by the cooperativity of electrostatic interactions, multiple C-H center dot center dot center dot pi interactions, and H-bonds, the guests penetrated into the cavity of H to form pseudorotaxane-type inclusion complexes with relatively high binding affinities.
• Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane
  作者：Haozhong Liang、Bin Hua、Fan Xu、Li-She Gan、Li Shao、Feihe Huang

  DOI：10.1021/jacs.0c10570

  日期：2020.11.18

  unimolecular chirality switching is a highly intriguing topic because the molecular structure as well as its function can be adjusted simultaneously by a switching process. Herein, a novel acid/base-tunable unimolecular chirality switching system based on a pillar[5]azacrown pseudo[1]catenane is reported. The bicyclic pillar[5]azacrown pseudo[1]catenane PN4 is synthesized through fusing an azacrown ring onto one

  刺激响应单分子手性转换是一个非常有趣的话题，因为分子结构及其功能可以通过转换过程同时进行调整。在此，报道了一种基于柱[5]氮冠假[1]链的新型酸/碱可调单分子手性转换系统。双环柱[5]氮冠假[1]环链烯PN4是通过将氮冠环融合到柱[5]芳烃的一个重复单元上而合成的。质子化和去质子化可以可逆地调节 PN4 在自包含和自排斥结构之间的构象转换，从而导致假 [1] 链的手性反转。NMR 光谱、圆二色性光谱和单晶结构证明了这些过程。