2-<2-nitrophenyl(thio)ethoxy>ethyl chloride | 240131-56-0

• 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-nitrophenyl(thio)ethoxy>ethyl chloride
• 英文别名: 1-[2-(2-Chloroethoxy)ethylsulfanyl]-2-nitrobenzene
• CAS: 240131-56-0
• 化学式: C₁₀H₁₂ClNO₃S
• 分子量: 261.729
• InChiKey: QMEDEXUUMKQCTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-<2-nitrophenyl(thio)ethoxy>ethyl chloride 在 sodium hydroxide 、 potassium carbonate 、 tin(ll) chloride 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 1,2-azoxy-3,4-benzo-12,13-(4-methylbenzo)-5-thia-8,11-dioxacyclotridecane
  参考文献：
  名称：

  Crown ethers with an azo or azoxy unit and sulfur atom(s) in a 13-membered macrocycle

  摘要：

  13-Membered crown ethers bearing oxygen and sulfur atom(s) and an azo- or azoxy group in the macrocycle have been synthesized by reductive macrocyclization of dinitropodands. The structure of a 13-membered azoxydithiacrown ether has been studied by X-ray analysis. Preliminary studies of these compounds as ion carriers in ion-selective membrane electrodes is reported. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00430-5
• 作为产物：
  描述：

  2-<2-<2-nitrophenyl(thio)>ethoxy>ethanol 在 吡啶 、 氯化亚砜 作用下， 反应 1.0h， 以85%的产率得到2-<2-nitrophenyl(thio)ethoxy>ethyl chloride
  参考文献：
  名称：

  Crown ethers with an azo or azoxy unit and sulfur atom(s) in a 13-membered macrocycle

  摘要：

  13-Membered crown ethers bearing oxygen and sulfur atom(s) and an azo- or azoxy group in the macrocycle have been synthesized by reductive macrocyclization of dinitropodands. The structure of a 13-membered azoxydithiacrown ether has been studied by X-ray analysis. Preliminary studies of these compounds as ion carriers in ion-selective membrane electrodes is reported. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00430-5

文献信息

• Crown ethers with an azo or azoxy unit and sulfur atom(s) in a 13-membered macrocycle
  作者：Jolanta Szczygelska-Tao、Jan F. Biernat、Victor Ch. Kravtsov、Yurii A. Simonov

  DOI：10.1016/s0040-4020(99)00430-5

  日期：1999.7

  13-Membered crown ethers bearing oxygen and sulfur atom(s) and an azo- or azoxy group in the macrocycle have been synthesized by reductive macrocyclization of dinitropodands. The structure of a 13-membered azoxydithiacrown ether has been studied by X-ray analysis. Preliminary studies of these compounds as ion carriers in ion-selective membrane electrodes is reported. (C) 1999 Elsevier Science Ltd. All rights reserved.