Methanesulfonic acid 2-(2-fluoro-6-nitro-phenyl)-ethyl ester | 290353-54-7

• 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: Methanesulfonic acid 2-(2-fluoro-6-nitro-phenyl)-ethyl ester
• 英文别名: 2-(2-Fluoro-6-nitrophenyl)ethyl methanesulfonate；2-(2-fluoro-6-nitrophenyl)ethyl methanesulfonate
• CAS: 290353-54-7
• 化学式: C₉H₁₀FNO₅S
• 分子量: 263.247
• InChiKey: HCOLUUMBPBHWLX-UHFFFAOYSA-N

物化性质

• 沸点：
  431.3±35.0 °C(Predicted)
• 密度：
  1.444±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methanesulfonic acid 2-(2-fluoro-6-nitro-phenyl)-ethyl ester 在 硫酸 、 硝酸脲 作用下， 以70%的产率得到Methanesulfonic acid 2-(6-fluoro-2,3-dinitro-phenyl)-ethyl ester
  参考文献：
  名称：

  Regioselective synthesis of 4-halo ortho-dinitrobenzene derivatives

  摘要：

  A novel method for the regioselective synthesis of 4-halo ortho-dinitrobenzene derivatives was developed by reacting various meta-halo nitrobenzenes with urea nitrate in concentrated sulfuric acid. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00587-6
• 作为产物：
  描述：

  2-氟-6-硝基甲苯 在 氢氧化钾 、 三乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 Methanesulfonic acid 2-(2-fluoro-6-nitro-phenyl)-ethyl ester
  参考文献：
  名称：

  A new method for the synthesis of 2,6-dinitro and 2-halo-6-nitrostyrenes

  摘要：

  A new method for the synthesis of 2-halo-6-nitrostyrenes from 2-halo-6-nitrotoluenes is disclosed. Also described is a one-pot process for the synthesis of 2,6-dinitristyrene from 2,6-dinitrotoluene. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01101-1

文献信息

• A new method for the synthesis of 2,6-dinitro and 2-halo-6-nitrostyrenes
  作者：Sreenivasa R Mundla

  DOI：10.1016/s0040-4039(00)01101-1

  日期：2000.8

  A new method for the synthesis of 2-halo-6-nitrostyrenes from 2-halo-6-nitrotoluenes is disclosed. Also described is a one-pot process for the synthesis of 2,6-dinitristyrene from 2,6-dinitrotoluene. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Regioselective synthesis of 4-halo ortho-dinitrobenzene derivatives
  作者：Sreenivasa R Mundla

  DOI：10.1016/s0040-4039(00)00587-6

  日期：2000.6

  A novel method for the regioselective synthesis of 4-halo ortho-dinitrobenzene derivatives was developed by reacting various meta-halo nitrobenzenes with urea nitrate in concentrated sulfuric acid. (C) 2000 Elsevier Science Ltd. All rights reserved.