1,4,7-trioxa-10,14-dithiacyclohexadecan | 929871-86-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4,7-trioxa-10,14-dithiacyclohexadecan
• 英文别名: 1,4,7-Trioxa-10,14-dithiacyclohexadecan-12-ol
• CAS: 929871-86-3
• 化学式: C₁₁H₂₂O₄S₂
• 分子量: 282.425
• InChiKey: SDAAEBRGVSCKNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  98.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4,7-trioxa-10,14-dithiacyclohexadecan 、 肉桂酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以65%的产率得到
  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
• 作为产物：
  描述：

  2,3-二溴-1-丙醇 、 四（乙二醇）二硫 在 lithium carbonate 作用下， 以 乙醇 、 水 为溶剂， 以57%的产率得到1,4,7-trioxa-10,14-dithiacyclohexadecan
  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

• 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