sym-(1,4-dioxapentyl)(propyl)dibenzo-16-crown-5 | 159722-60-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sym-(1,4-dioxapentyl)(propyl)dibenzo-16-crown-5
• 英文别名: 18-(2-Methoxyethoxy)-18-propyl-6,7,9,10,18,19-hexahydro-17H-dibenzo(b,k)(1,4,7,10,13)pentaoxacyclohexadecin；4-(2-methoxyethoxy)-4-propyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaene
• CAS: 159722-60-8
• 化学式: C₂₅H₃₄O₇
• 分子量: 446.541
• InChiKey: CUFHRRIQYJQZPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  sym-(hydroxy)(propyl)dibenzo-16-crown-5 、 2-溴乙基甲基醚 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以83%的产率得到sym-(1,4-dioxapentyl)(propyl)dibenzo-16-crown-5
  参考文献：
  名称：

  具有侧酯基和醚基的二苯并-16-冠-5化合物的合成

  摘要：

  制备具有侧酯和醚基的结构相关的二苯并-16-冠-5套索状醚。烷基套索状醚酯系列中的结构变化包括O-烷基的变化，亲脂基团的连接位点和性质以及将酯基团连接至聚醚骨架的间隔基的长度。还合成了具有两个二苯并基-16-冠-5或两个二环己基-16-冠-5单元和两个酯基的双（冠醚）二酯，所述两个酯基通过不同长度的接头彼此连接。描述了制备具有侧链含酯和醚侧链的套索状醚的合成策略。

  DOI：

  10.1002/jhet.5570410503

文献信息

• Alkali Metal, Alkaline Earth Metal, and Ammonium Ion Selectivities of Dibenzo-16-Crown-5 Compounds with Functional Side Arms in Ion-Selective Electrodes
  作者：Akira. Ohki、Jian Ping. Lu、Xiaowu. Huang、Richard A. Bartsch

  DOI：10.1021/ac00095a033

  日期：1994.12.1

  Potentiometric selectivities of 11 dibenzo-16-crown-5 compounds for alkali metal, alkaline earth metal, and ammonium ions have been determined in soh ent polymeric membrane electrodes. The ionophores bear one or two pendent groups on the central carbon of the three-carbon bridge in the polyether ring. Side-arm variation includes OCH3, OCH2CH2OCH3, OCH2CO2C2H5, OCH2C(O)N(C2H5)(2), and OCH2C(O)N(C5H11)(2) units. Attachment of a propyl group to the ring carbon that bears an extended, oxygen-containing side arm increases the selectivity for Na+ relative to larger alkali metal and alkaline earth metal cations. For a given side arm, a linear relationship is obtained when the enhancement in Na+ selectivity produced by attachment of a geminal propyl group is plotted against the diameter of the interference ion. Potentiometric responses of the dibenzo-16-crown-5 compounds are rationalized in terms of the crown ether ring size and the oxygen basicity, conformational positioning, and rigidity of the side arm.
• Synthesis of dibenzo-16-crown-5 compounds with pendant ester and ether groups
  作者：David A. Babb、Richard A. Bartsch、James J. Collier、Dhimant H. Desai、Sadik Elshania、Mi-Ja Goo、Johnny L. Hallman、Gwi Suk Heo、Xiaowu Huang、Vincent J. Huber、Hong-Sik Hwang、Russell J. Johnson、Yung Liu、Michael J. Pugia、Qiang Zhao

  DOI：10.1002/jhet.5570410503

  日期：2004.9

  related dibenzo-16-crown-5 lariat ethers with pendant ester and ether groups are prepared. Structural variations within the series of alkyl lariat ether esters include changes in the O-alkyl group, attachment site and nature of the lipophilic group, and length of the spacer, which connects the ester group to the polyether framework. Also synthesized are bis(crown ether) diesters with two dibenzo-16-crown-5

  制备具有侧酯和醚基的结构相关的二苯并-16-冠-5套索状醚。烷基套索状醚酯系列中的结构变化包括O-烷基的变化，亲脂基团的连接位点和性质以及将酯基团连接至聚醚骨架的间隔基的长度。还合成了具有两个二苯并基-16-冠-5或两个二环己基-16-冠-5单元和两个酯基的双（冠醚）二酯，所述两个酯基通过不同长度的接头彼此连接。描述了制备具有侧链含酯和醚侧链的套索状醚的合成策略。