2-[2-[2-[3-[2-[2-[2-(2-Sulfanylacetyl)oxyethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethyl 2-sulfanylacetate | 1240327-87-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[2-[2-[3-[2-[2-[2-(2-Sulfanylacetyl)oxyethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethyl 2-sulfanylacetate
• CAS: 1240327-87-0
• 化学式: C₂₆H₃₆O₁₀S₂
• 分子量: 572.698
• InChiKey: XEPYUZYWADGVPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2-[2-[2-[3-[2-[2-[2-(2-Sulfanylacetyl)oxyethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethyl 2-sulfanylacetate 、 prop-2-yn-1-yl 4-methylbenzoate 在 安息香双甲醚 、 dibenzylammonium 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.25h， 以80%的产率得到C₃₇H₄₆O₁₂S₂
  参考文献：
  名称：

  Synthesis of Sulfuric Macrocycles and a Rotaxane through Thiol-yne Click and Dithiol Coupling Reactions

  摘要：

  A macrocycle and a rotaxane were constructed by virtue of the thiol-yne click reaction under the irradiation of light in high yield, which can proceed at ambient temperature and humidity under an air atmosphere. Two disulfide macrocycles were synthesized through a simple dithiol coupling reaction, which exhibited high stability and a weak assembly interaction with a dialkylammonium ion.

  DOI：

  10.1021/ol1014569
• 作为产物：
  描述：

  2,3-bis(2-{2-[2-(hydroxy)ethoxy]ethoxy}ethoxy)naphthalene 、 巯基乙酸 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以88%的产率得到2-[2-[2-[3-[2-[2-[2-(2-Sulfanylacetyl)oxyethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethyl 2-sulfanylacetate
  参考文献：
  名称：

  Synthesis of Sulfuric Macrocycles and a Rotaxane through Thiol-yne Click and Dithiol Coupling Reactions

  摘要：

  A macrocycle and a rotaxane were constructed by virtue of the thiol-yne click reaction under the irradiation of light in high yield, which can proceed at ambient temperature and humidity under an air atmosphere. Two disulfide macrocycles were synthesized through a simple dithiol coupling reaction, which exhibited high stability and a weak assembly interaction with a dialkylammonium ion.

  DOI：

  10.1021/ol1014569