2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate | 26323-72-8

• 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: 2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
• 英文别名: 2-[2-(2-dodecoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 26323-72-8
• 化学式: C₂₅H₄₄O₆S
• 分子量: 472.687
• InChiKey: CBYHFHILYGYDAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  32
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate 在 氢氧化钾 、 sodium hydroxide 、 草酰氯 、 硫酸 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 56.0h， 生成 N-(6-aminopyridin-2-yl)-4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethylsulfanyl]butanamide
  参考文献：
  名称：

  Cooperative Control of Ion and Molecular Recognition by Molecular Assembling

  摘要：

  DOI：

  10.1021/jo980406i
• 作为产物：
  描述：

  3-十二烷醇 、 对甲苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以29%的产率得到2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Synthesis and Photoswitchable Complexation/Extraction Properties of Lipophilic Azabis(benzo-15-crown-5) Ionophores for Alkali Metal Cations

  摘要：

  Novel lipophilic derivatives of azobis(benzo-15-crown-5) (1b, 1c) were synthesized and their photoisomerization, complexation and extraction properties for alkali metal cations were investigated. Upon UV light irradiation, the photostationary state of the trans and cis isomers was reached and, with both 1b and 1c, the extractabilities of Rb+ and Cs+ increased due to the formation of 1:1 sandwich-type complexes by the cis isomers. On the other hand, the extractability of K+ decreased, possibly because the 2:1 complexes formed by the trans isomers are more stable and/or lipophilic than the complexes of the cis isomers.

  DOI：

  10.3987/com-97-s(n)87

文献信息

• Synthesis and Photoswitchable Complexation/Extraction Properties of Lipophilic Azabis(benzo-15-crown-5) Ionophores for Alkali Metal Cations
  作者：Kazunori Odashima、Koji Tohda、Shinji Yoshiyagawa、Shinichiro Yamashita、Masamitsu Kataoka、Yoshio Umezawa

  DOI：10.3987/com-97-s(n)87

  日期：——

  Novel lipophilic derivatives of azobis(benzo-15-crown-5) (1b, 1c) were synthesized and their photoisomerization, complexation and extraction properties for alkali metal cations were investigated. Upon UV light irradiation, the photostationary state of the trans and cis isomers was reached and, with both 1b and 1c, the extractabilities of Rb+ and Cs+ increased due to the formation of 1:1 sandwich-type complexes by the cis isomers. On the other hand, the extractability of K+ decreased, possibly because the 2:1 complexes formed by the trans isomers are more stable and/or lipophilic than the complexes of the cis isomers.
• Cooperative Control of Ion and Molecular Recognition by Molecular Assembling
  作者：Tatsuya Nabeshima、Takayoshi Takahashi、Takeshi Hanami、Akihiro Kikuchi、Tohru Kawabe、Yumihiko Yano

  DOI：10.1021/jo980406i

  日期：1998.6.1