1,4,7-trioxa-10,14-dithia-12-cyclohexadecanyl thiophene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 1,4,7-trioxa-10,14-dithia-12-cyclohexadecanyl thiophene-2-carboxylate
• 英文别名: 1,4,7-Trioxa-10,14-dithia-12-cyclohexadecanyl thiophene-2-carboxylate；1,4,7-trioxa-10,14-dithiacyclohexadec-12-yl thiophene-2-carboxylate
• 化学式: C₁₆H₂₄O₅S₃
• 分子量: 392.562
• InChiKey: BLSBAPMBMYIUPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  四（乙二醇）二硫 在 4-二甲氨基吡啶 、 lithium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 1,4,7-trioxa-10,14-dithia-12-cyclohexadecanyl thiophene-2-carboxylate
  参考文献：
  名称：

  Facile Transformation of the Hydroxy‐Substituted Oxathiacrown Ethers

  摘要：

  9(12)-Hydroxy-dithia-13(16)-crown-4(6)-Eethers have been prepared by the condensing an oligoethylene glycol dithiol with 2,3-dibromo-1-propanol. Methods of oxidation, halogenation, amination, and esterification of the 9-hydroxythiacrown ether, producing corresponding oxathiacrown ether derivatives in good yields, have been developed. Cyclic destruction has not been found in the studied reactions. The change of the oxathiamacrocyclic ring size in the course of the halogenation and amination reactions was revealed.

  DOI：

  10.1080/00397910600640024

文献信息

• Facile Transformation of the Hydroxy‐Substituted Oxathiacrown Ethers
  作者：Elena V. Tulyakova、Edward V. Rakhmanov、Elena V. Lukovskaya、Alla A. Bobylyova、Andrey V. Khoroshutin、Alexander V. Anisimov、Olga A. Fedorova

  DOI：10.1080/00397910600640024

  日期：2006.8

  9(12)-Hydroxy-dithia-13(16)-crown-4(6)-Eethers have been prepared by the condensing an oligoethylene glycol dithiol with 2,3-dibromo-1-propanol. Methods of oxidation, halogenation, amination, and esterification of the 9-hydroxythiacrown ether, producing corresponding oxathiacrown ether derivatives in good yields, have been developed. Cyclic destruction has not been found in the studied reactions. The change of the oxathiamacrocyclic ring size in the course of the halogenation and amination reactions was revealed.
• Synthesis, complex-formation, and extracting ability of new derivatives of dithia-13(16)-crown-4(5) ethers
  作者：E. V. Tulyakova、E. V. Rakhmanov、E. V. Lukovskaya、O. A. Fedorova、A. A. Abramov、A. V. Khoroshutin、A. A. Bobylyova、A. V. Anisimov

  DOI：10.1007/s10593-006-0073-7

  日期：2006.2