2-(4-nitrophenoxy)-3-nitropyridine | 229620-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-nitrophenoxy)-3-nitropyridine
• 英文别名: 3-nitro-2-(4-nitro-phenoxy)-pyridine；3-Nitro-2-(4-nitro-phenoxy)-pyridin；3-Nitro-2-(4-nitrophenoxy)pyridine
• CAS: 229620-56-8
• 化学式: C₁₁H₇N₃O₅
• 分子量: 261.194
• InChiKey: XNKFINZINFWWQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-nitrophenoxy)-3-nitropyridine 在 盐酸 、 tin(ll) chloride 作用下， 生成 2-(4-amino-phenoxy)-[3]pyridylamine
  参考文献：
  名称：

  Takahashi; Shibasaki, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1949, vol. 69, p. 408

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-3-硝基吡啶 、 4-nitrophenol sodium salt 以 甲醇 为溶剂， 以98%的产率得到2-(4-nitrophenoxy)-3-nitropyridine
  参考文献：
  名称：

  Kinetics of the reaction of 2-chloro-3-nitro- and 2-chloro-5-nitropyridines with aryloxide ions in methanol

  摘要：

  The kinetics of the reaction of 2-chloro-3-nitropyridine (ortho-like) and 2-chloro-5-nitropyridine (para-like) with a series of aryloxide ions were studied in methanol at different temperatures. Plots of Delta H-not equal versus Delta S-not equal for both reactions gave good straight lines with isokinetic temperatures of 168 and 195 degrees C. Good linear relationships were obtained from the plots of log k(2) against sigma degrees values with relatively large negative rho values indicating the formation of Meisenheimer sigma-complex intermediates. Plots of log k(2) against pK(a) values gave good straight lines indicating that the reactions show an appreciable degree of bond formation in the transition state. An addition-elimination mechanism is suggested. Copyright (C) 1999 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1099-1395(199904)12:4<347::aid-poc134>3.0.co;2-g

文献信息

• Kinetics of the reaction of 2-chloro-3-nitro- and 2-chloro-5-nitropyridines with aryloxide ions in methanol
  作者：Ali A. El-Bardan

  DOI：10.1002/(sici)1099-1395(199904)12:4<347::aid-poc134>3.0.co;2-g

  日期：1999.4

  The kinetics of the reaction of 2-chloro-3-nitropyridine (ortho-like) and 2-chloro-5-nitropyridine (para-like) with a series of aryloxide ions were studied in methanol at different temperatures. Plots of Delta H-not equal versus Delta S-not equal for both reactions gave good straight lines with isokinetic temperatures of 168 and 195 degrees C. Good linear relationships were obtained from the plots of log k(2) against sigma degrees values with relatively large negative rho values indicating the formation of Meisenheimer sigma-complex intermediates. Plots of log k(2) against pK(a) values gave good straight lines indicating that the reactions show an appreciable degree of bond formation in the transition state. An addition-elimination mechanism is suggested. Copyright (C) 1999 John Wiley & Sons, Ltd.
• Takahashi; Shibasaki, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1949, vol. 69, p. 408
  作者：Takahashi、Shibasaki

  DOI：——

  日期：——