1,6-Bis(3,5-bis(methoxycarbonyl)phenoxy)hexane | 22937-68-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,6-Bis(3,5-bis(methoxycarbonyl)phenoxy)hexane
• 英文别名: 1,6-bis[3,5-bis(methoxycarbonyl)phenoxy]hexane
• CAS: 22937-68-4
• 化学式: C₂₆H₃₀O₁₀
• 分子量: 502.518
• InChiKey: QDPMKOXVMQNUCS-UHFFFAOYSA-N

物化性质

• 沸点：
  623.0±55.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  36.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  123.66
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1,6-Bis(3,5-bis(methoxycarbonyl)phenoxy)hexane 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以88%的产率得到5,5′-(hexane-1,6-diyl)-bis(oxy)diisophthalic acid
  参考文献：
  名称：

  Synthesis and Analysis of Telechelic Polyisobutylenes for Hydrogen-Bonded Supramolecular Pseudo-Block Copolymers

  摘要：

  New telechelic polyisobutylenes (PIB) with hydrogen-bonding motifs were prepared. Nucleobases such as thymine, uracil, and cytosine as well as chelate-type hydrogen-bonding donor-acceptors were affixed onto the end groups of the PIB. Starting with PIB of defined molecular weight, prepared by living cationic polymerization, hydroxyterminated PIB was generated, which subsequently was transformed into the corresponding chloromethyl ether. Reaction with silylated nucleobases furnished the final nucleobase-telechelic PIB in high yields. The chelate-type PIB was prepared by a sequence of nucleophilic/addition reaction steps adapted to the low solubility of PIB polymers in polar solvents. The structure of the PIB polymers was proven by H-1 NMR, C-13 NMR, and MALDI-TOF MS analysis proving the complete conversion between the reaction steps in quantitative yields. The pure PIB polymers with specific hydrogen bonding patterns will allow the investigation of supramolecular pseudo-block copolymers.

  DOI：

  10.1021/ma034924t
• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 硫酸 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 16.0h， 生成 1,6-Bis(3,5-bis(methoxycarbonyl)phenoxy)hexane
  参考文献：
  名称：

  水溶性离子金属-有机多面体作为酶生物固定化的多功能平台

  摘要：

  金属有机多面体 (MOPs) 可以作为模块化多孔材料设计的基本结构单元；然而，它们与生物系统的联系仍然受到它们通常在水中的低稳定性和溶解度的极大限制。在此，我们描述了带有阴离子或阳离子基团并对蛋白质表现出高亲和力的新型 MOP 的制备。蛋白质牛血清白蛋白 ( BSA ) 和离子 MOP 水溶液的简单混合导致 MOP-蛋白质组装体的自发形成，根据初始混合比，呈胶体状态或固体沉淀。使用两种酶、过氧化氢酶和细胞色素c进一步说明了该方法的多功能性, 具有不同的尺寸和等电点 (pI) 低于和高于 7。这种组装模式导致催化活性的高保留并实现可回收性。此外，细胞色素c与高电荷 MOPs的共同固定导致其催化活性显着增加 44 倍。

  DOI：

  10.1021/jacs.2c13798

文献信息

• Pyridinium N-heteroarylaminides: synthesis of N-heteroarylpolyamines
  作者：Rafael R. Castillo、Marta Córdoba、M. Luisa Izquierdo、Julio Alvarez-Builla

  DOI：10.1016/j.tet.2009.09.079

  日期：2009.11

  The synthesis of a set of new N-heteroarylpolyamines is reported. A multiple and regioselective alkylation on the exo nitrogen of pyridinium N-(heteroaryl)aminides with several polybromo compounds, followed by a clean N-N bond reduction of the corresponding pyridinium salts, provides an easy and general method to obtain the title compounds. (C) 2009 Elsevier Ltd. All rights reserved.
• Bodwell, Graham J.; Bridson, John N.; Houghton, Tom J., Angewandte Chemie, 1996, vol. 108, # 12, p. 1418 - 1420
  作者：Bodwell, Graham J.、Bridson, John N.、Houghton, Tom J.、Kennedy, Jason W. J.、Mannion, Michael R.

  DOI：——

  日期：——
• 1,7-Dioxa[7](2,7)pyrenophane: The Pyrene Moiety Is More Bent than That of C70
  作者：Graham J. Bodwell、John N. Bridson、Tom J. Houghton、Jason W. J. Kennedy、Michael R. Mannion

  DOI：10.1002/(sici)1521-3765(19990604)5:6<1823::aid-chem1823>3.0.co;2-i

  日期：1999.6.4

  The synthesis of the highly strained title compound 8a was achieved by the valence isomerization and in situ dehydrogenation of the cyclophanediene 7a at only 80 degrees C. A single-crystal X-ray structure determination of 8a revealed that the pyrene moiety is remarkably bent, the two ends forming an angle of 109.2 degrees. This degree of lengthwise bend slightly exceeds that present in the pyrene unit found in the equator of D-5h C-70, rendering it the most bent pyrene group yet prepared. The expectation of unusual reactivity is borne out by the apparent Diels-Alder reaction between 8a and tetracyanoethylene (TCNE) to give adduct 9.