N,N-bis(2-(methylsulfonyloxy)ethyl)-3-methoxylaniline | 1268821-40-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N-bis(2-(methylsulfonyloxy)ethyl)-3-methoxylaniline
• CAS: 1268821-40-4
• 化学式: C₁₃H₂₁NO₇S₂
• 分子量: 367.444
• InChiKey: DRROMEVCXPFKAG-UHFFFAOYSA-N

物化性质

• 沸点：
  586.4±40.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  99.21
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N,N-bis(2-(methylsulfonyloxy)ethyl)-3-methoxylaniline 在 碳酸氢钠 、 sodium chloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.33h， 生成 4'-(3-methoxyphenyl)spiro[indoline-1,1'-piperazin]-1-ium chloride
  参考文献：
  名称：

  Synthesis and structure–analgesic activity relationships of a novel series of monospirocyclopiperazinium salts (MSPZ)

  摘要：

  A series of monospirocyclopiperazinium salts were designed and synthesized to search for a peripherally-acting analgesic drug with low side effects. Extensive SAR studies revealed that a suitable (NRR3)-R-2 was critical for the analgesic activity, which might be beneficial to expose the cationic nitrogen to bind to the receptor, and possibly interact with the receptor via pi-pi interaction. Introduction of substituting group on the N-4-phenyl ring could improve the activity, and the best position was the 4-position. Compound 14n showed more potent analgesic activity (63%, 20 mu M/kg, sc) and holds promise for development as a mechanically new analgesic drug. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.052
• 作为产物：
  描述：

  间氨基苯甲醚 在 三乙胺 、 calcium carbonate 、 potassium iodide 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 9.0h， 生成 N,N-bis(2-(methylsulfonyloxy)ethyl)-3-methoxylaniline
  参考文献：
  名称：

  Synthesis and structure–analgesic activity relationships of a novel series of monospirocyclopiperazinium salts (MSPZ)

  摘要：

  A series of monospirocyclopiperazinium salts were designed and synthesized to search for a peripherally-acting analgesic drug with low side effects. Extensive SAR studies revealed that a suitable (NRR3)-R-2 was critical for the analgesic activity, which might be beneficial to expose the cationic nitrogen to bind to the receptor, and possibly interact with the receptor via pi-pi interaction. Introduction of substituting group on the N-4-phenyl ring could improve the activity, and the best position was the 4-position. Compound 14n showed more potent analgesic activity (63%, 20 mu M/kg, sc) and holds promise for development as a mechanically new analgesic drug. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.052

文献信息

• Selective ratiometric detection of Hg2+ in pure water using a phenoxazinium-based probe
  作者：Xue-Bo Yang、Jian-Feng Ge、Qing-Feng Xu、Xiao-Ling Zhu、Na-Jun Li、Hong-wei Gu、Jian-Mei Lu

  DOI：10.1016/j.tetlet.2011.03.013

  日期：2011.5

  A ratiometric, near-infrared, and fully water-soluble probe, a phenoxazinium-based chemosensor bearing an anilino thiaazacrown, was successfully synthesized and characterized. The use of this probe for the selective ratiometric detection of Hg2+ in pure water is reported. The probe shows good selectivity for Hg2+, and a large blue shift (75 nm) of the complex's absorption maximum was observed. (C) 2011 Elsevier Ltd. All rights reserved.