1,4,7,11,14,17-hexaoxacycloicosane-8,10,18,20-tetraone | 79644-44-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 1,4,7,11,14,17-hexaoxacycloicosane-8,10,18,20-tetraone
• 英文别名: 1,4,7,11,14,17-Hexaoxacycloicosane-8,10,18,20-tetrone
• CAS: 79644-44-3
• 化学式: C₁₄H₂₀O₁₀
• 分子量: 348.307
• InChiKey: ALMPPBOOHKKKQC-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90 °C
• 沸点：
  749.7±60.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,4,7,11,14,17-hexaoxacycloicosane-8,10,18,20-tetraone 在 4-乙酰氨基苯磺酰叠氮 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 以83%的产率得到9,19-bisdiazo-1,4,7,11,14,17-hexaoxacycloicosane-8,10,18,20-tetraone
  参考文献：
  名称：

  Reactions of macrocyclic rhodium carbenoids: regioselective synthesis of indol-3-yl macrocyclic lactones and cryptands

  摘要：

  A wide variety of new macrocyclic diazocarbonyl compounds with various spacers was synthesized. Macrocyclic rhodium(H) carberioid insertion with various substituted indoles was performed to afford regioselectively, indol-3-yl macrocyclic di- or tetralactones (C3-alkylation). Double carberioid insertion was also performed to afford indolyl cryptand molecules. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.102
• 作为产物：
  描述：

  malonate ester of diethylene glycol monobenzyl ether 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 58.0h， 生成 1,4,7,11,14,17-hexaoxacycloicosane-8,10,18,20-tetraone
  参考文献：
  名称：

  Fullerene Ylidene Malonate Supramolecular Triads

  摘要：

  DOI：

  10.1002/1099-0690(200210)2002:20<3385::aid-ejoc3385>3.0.co;2-v

文献信息

• THE PREPARATION OF MACROCYCLIC DI- OR TETRAESTER/ETHER COMPOUNDS FROM GLYCOLS WITH DIACID CHLORIDES BY THE USE OF DIBUTYLTIN OXIDE
  作者：Akira Ninagawa、Takeshi Maeda、Haruo Matsuda

  DOI：10.1246/cl.1984.1985

  日期：1984.11.5

  Several macrocyclic di- or tetraester/ether compounds were readily prepared by reacting various oligoethylene glycols with aliphatic and aromatic diacid chlorides, and hetero atoms-containing diethylene glycols with adipoyl chloride by the use of dibutyltin oxide in good yields.

  通过使用二丁基氧化锡，通过各种低聚乙二醇与脂族和芳族二酰氯反应，以及含杂原子的二甘醇与己二酰氯反应，可以容易地制备几种大环二酯或四酯/醚化合物，收率良好。
• Synthesis and Structure Determination of 1, 4, 7, 11, 14, 17, 21, 24, 27-Nonaoxatriacontan-8, 10, 18, 20, 28, 30-Esaone
  作者：Dario Pasini、Michele Zema、Pierpaolo Righetti

  DOI：10.1007/s10870-007-9205-x

  日期：2007.8

  The title compound crystallizes in the trigonal space group R-3, with unit-cell parameters: a = 23.261(4), c = 9.537(2) Å; λ(MoKα) = 0.71073 Å, V = 4469(2) Å3, and Z = 6. The structure has been solved by direct methods using X-ray diffraction techniques. The final reliability index for the computed structure is 0.0826 for 929 observed reflections and 121 refined parameters. Crown ether adopts an almost circular shape and macrocycles are piled up in a columnar arrangement forming tubular nanochannels. The channels are filled with guest CDCl3 molecules, characterised by rotational disorder.

  标题化合物在三方晶系R-3空间群中结晶，其晶胞参数为：a=23.261(4) Å，c=9.537(2) Å；λ(MoKα)=0.71073 Å，V=4469(2) ų，且Z=6。该结构通过使用X射线衍射技术的直接方法得以解析。计算结构的最终可靠性指数为0.0826，适用于929个观测反射和121个精修参数。冠醚呈现近圆形形状，大环以柱状排列堆积，形成管状纳米通道。这些通道内充满具有旋转无序特征的客体CDCl3分子。
• C2 Symmetrical double chromophores: cooperativity effects in lanthanide ion complexationElectronic supplementary information (ESI) available: chemical shifts for diastereoisomeric pairs 4/5 in C6D6 solutions (300 MHz). See http://www.rsc.org/suppdata/ob/b4/b403494e/
  作者：Dario Pasini、Pier Paolo Righetti、Michele Zema

  DOI：10.1039/b403494e

  日期：——

  We describe the synthesis and characterization of C2 symmetrical double chromophores, in which two identical chromophores are linked through ethylene glycol spacers of increasing lengths. The complexation ability of the trans stereopure form for each diastereoisomeric pair showed how the two chromophores, when the spacer unit is comprised of a diethylene or a triethylene glycol moiety, are able to interact in a positive way, stabilizing the resulting complexes when compared with single chromophore analogous compounds.

  我们描述了C2对称双发色团的合成和特性，其中两个相同的发色团通过长度不断增加的乙二醇间隔物连接。对于每个非对映异构体对，反式立体纯形式的络合能力表明，当间隔单元由二乙二醇或三乙二醇部分组成时，两个发色团能够以积极的方式相互作用，与单发色团类似化合物相比，稳定了所得络合物。
• NINAGAWA, AKIRA;MAEDA, TAKESHI;MATSUDA, HARUO, CHEM. LETT., 1984, N 11, 1985-1988
  作者：NINAGAWA, AKIRA、MAEDA, TAKESHI、MATSUDA, HARUO

  DOI：——

  日期：——
• SINGH, HARJIT;KUMAR, MANOJ;SINGH, PARAMJIT;KUMAR, SUBODH, J. CHEM. RES. SYNOP.,(1988) N 4, 132-133
  作者：SINGH, HARJIT、KUMAR, MANOJ、SINGH, PARAMJIT、KUMAR, SUBODH

  DOI：——

  日期：——