N-methyl-2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-nitroaniline | 294639-03-5

• 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: N-methyl-2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-nitroaniline
• CAS: 294639-03-5
• 化学式: C₂₂H₃₀N₄O₉
• 分子量: 494.502
• InChiKey: WQIADISEZRQANB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  162
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-methyl-2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-nitroaniline 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0~80.0 ℃ 、202.65 kPa 条件下， 生成 1-[21,33-Dimethyl-37-(methylcarbamothioylamino)-2,5,8,11,14,24,27,30-octaoxa-21,33-diazatricyclo[32.4.0.015,20]octatriaconta-1(34),15(20),16,18,35,37-hexaen-17-yl]-3-methylthiourea
  参考文献：
  名称：

  A regioselectively bis(thiourea)-substituted dibenzo-diaza-30-crown-10: a new strategy for the development of multi-site receptors

  摘要：

  Due to our interest in the functionalization of dibenzo-30-crown-10 moiety, a regioselectively dinitro-derived congener 1 was conveniently synthesized. The availability of the compound as a building block to develop new molecular systems allowed us to prepare a multi-site receptor 3, desirable for cooperative complexation of cationic and anionic species in an induced fit fashion. Indeed, K+ accommodated in the crowned cavity did not only tune the conformation to bind anions but also associated in the anion binding efficiently. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00819-4
• 作为产物：
  描述：

  2-甲氧基-5-硝基苯酚 在 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 N-methyl-2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-nitroaniline
  参考文献：
  名称：

  A regioselectively bis(thiourea)-substituted dibenzo-diaza-30-crown-10: a new strategy for the development of multi-site receptors

  摘要：

  Due to our interest in the functionalization of dibenzo-30-crown-10 moiety, a regioselectively dinitro-derived congener 1 was conveniently synthesized. The availability of the compound as a building block to develop new molecular systems allowed us to prepare a multi-site receptor 3, desirable for cooperative complexation of cationic and anionic species in an induced fit fashion. Indeed, K+ accommodated in the crowned cavity did not only tune the conformation to bind anions but also associated in the anion binding efficiently. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00819-4

文献信息

• A regioselectively bis(thiourea)-substituted dibenzo-diaza-30-crown-10: a new strategy for the development of multi-site receptors
  作者：Tomokazu Tozawa、Yoshihiro Misawa、Sumio Tokita、Yuji Kubo

  DOI：10.1016/s0040-4039(00)00819-4

  日期：2000.7

  Due to our interest in the functionalization of dibenzo-30-crown-10 moiety, a regioselectively dinitro-derived congener 1 was conveniently synthesized. The availability of the compound as a building block to develop new molecular systems allowed us to prepare a multi-site receptor 3, desirable for cooperative complexation of cationic and anionic species in an induced fit fashion. Indeed, K+ accommodated in the crowned cavity did not only tune the conformation to bind anions but also associated in the anion binding efficiently. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Second-Order Nonlinear Optical Properties of Functionalized Ionophores: Cation-Steered Modulation of the First Hyperpolarizability
  作者：Stephan Houbrechts、Yuji Kubo、Tomokazu Tozawa、Sumio Tokita、Tatsuo Wada、Hiroyuki Sasabe

  DOI：10.1002/1521-3773(20001103)39:21<3859::aid-anie3859>3.0.co;2-z

  日期：2000.11.3