1,7-bis(2-(methoxycarbonyl)phenyl)-1,4,7-trioxaheptane | 161724-78-3

• 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: 1,7-bis(2-(methoxycarbonyl)phenyl)-1,4,7-trioxaheptane
• 英文别名: Dimethyl 2,2'-(1,4,7-trioxaheptane-1,7-diyl)dibenzoate；methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
• CAS: 161724-78-3
• 化学式: C₂₀H₂₂O₇
• 分子量: 374.39
• InChiKey: BVKMZSGILSRMHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,7-bis(2-(methoxycarbonyl)phenyl)-1,4,7-trioxaheptane 在 一水合肼 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 84.0h， 生成 31-methoxy-12,15,18-trioxa-3,4,26,27,33-pentazatetracyclo[27.3.1.06,11.019,24]tritriaconta-1(32),2,6,8,10,19,21,23,27,29(33),30-undecaene-5,25-dione
  参考文献：
  名称：

  用于识别重金属离子的动态组合库†

  摘要：

  我们目前使用of动态组合库（DCL）来识别对碱土金属离子比碱金属离子具有选择性的大环受体。特别是，有毒重金属离子Sr 2+和Ba 2+会引起DCLs的特征变化。分离出四个大环，并通过LCMS，HRMS，NMR和X射线晶体学进行表征。通过紫外-可见光谱的结合研究证实了在DCL中观察到的选择性。

  DOI：

  10.1039/c1ob05976a
• 作为产物：
  描述：

  2,2'-二溴二乙醚 、 水杨酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 168.0h， 以96%的产率得到1,7-bis(2-(methoxycarbonyl)phenyl)-1,4,7-trioxaheptane
  参考文献：
  名称：

  大环二酰胺的高效合成

  摘要：

  已经制备了一些新的大环二苯并三恶二酰胺，三苯并三恶二酰胺和四苯并六草酸酯四酰胺（1–9）。在大环化步骤中，通过使二羧酸二氯化物（13）与适当的二胺在CH 2 Cl 2中反应，得到化合物（2–9）。环化不需要高稀释技术或模板效果，并能以80％至95％的高收率提供预期的双内酰胺。然而，二胺（14a）与二羧酸二氯化物（13）在高稀释条件下的反应以中等收率产生了二内酰胺（2）和四内酰胺（1）的混合物。

  DOI：

  10.1016/0040-4020(94)00980-9

文献信息

• Crown Ethers as New Catalysts in the Highly Regioselective Halogenative Cleavage of Epoxides with Elemental Halogen
  作者：Hashem Sharghi、Ahmad Reza Massah、Hossein Eshghi、Khodabakhsh Niknam

  DOI：10.1021/jo971453y

  日期：1998.3.1

  The regioselective ring opening halogenation of some epoxides using elemental iodine and bromine in the presence of a series of new synthetic macrocycle diamides and also dibenzo-18-crown -6, 18-crown-6, and aza-18-crown-6 has been studied. The epoxides were subject to cleavage by elemental halogen (I-2 and Br-2) in the presence of these catalysts under mild reaction conditions in various aprotic solvents. In this study, reagents and conditions have been discovered with which the individual halohydrins can be synthesized in high yield and with more than 95% regioselectivity. The results can be discussed in terms of a four-step mechanism: (1) formation of a charge-transfer complex between catalyst and halogen, (2) release of halogen nucleophile from the complex, (3) reaction of the active nucleophile at the less sterically-hindered site in the epoxide, and (4) regeneration of catalyst. The major advantages of this method are high regioselectivity, simple regeneration of catalyst and its reuse through several cycles without a decrease in activity, and ease of workup of the reaction.
• Rahimizadeh; Eshghi; Rostami, Polish Journal of Chemistry, 2005, vol. 79, # 1, p. 73 - 81
  作者：Rahimizadeh、Eshghi、Rostami、Faghihi

  DOI：——

  日期：——
• New Fluorimetric Alkali and Alkaline Earth Metal Cation Sensors Based on Noncyclic Crown Ethers by Means of Intramolecular Excimer Formation of Pyrene
  作者：Yoshio Suzuki、Tatsuya Morozumi、Hiroshi Nakamura、Masatsugu Shimomura、Takashi Hayashita、Richard A. Bartsh

  DOI：10.1021/jp981567t

  日期：1998.10.1

  New fluorescent reagents, 2,2'-[oxybis(3-oxapentamethyleneoxy)]-bis[N(1-pyrenylmethyl)benzamide)] (4) and its analogues (2, 3, and 5) which have two pyrenes at the both terminals of polyoxyethylene compounds, were synthesized, and their complexation behavior with alkaline earth cations was investigated by fluorescence spectrometry, fluorescence lifetimes, and H-1 NMR spectrometry. These reagents (3-5) showed strong intramolecular excimer emissions around at 480 nm in the fluorescence spectra. On the complexation with alkaline earth metal cations, the increase of monomer emission around at 400 nm accompanied by the disappearance of intramolecular excimer emission of free reagents was observed. These reagents formed a 1:1 complex, and the order of complex formation constants was Ca2+ congruent to Sr2+ > Ba2+ > Mg2+ > Li+ for all reagents. H-1 NMR spectra of these complexes with alkaline earth cations suggested the helical structures of the complexes. Fluorescence spectral changes at the formation of complexes depended on the chain length of the oxyethylene moiety and metal cations. In all cases, the formation of helical structures at the complexation was supported by the H-1 NMR spectra.