1,3-dinitro-5-trimethoxymethylbenzene | 587833-95-2

• 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: 1,3-dinitro-5-trimethoxymethylbenzene
• 英文别名: 1,3-Dinitro-5-(trimethoxymethyl)benzene
• CAS: 587833-95-2
• 化学式: C₁₀H₁₂N₂O₇
• 分子量: 272.214
• InChiKey: NBNWBKXVHYODRF-UHFFFAOYSA-N

物化性质

• 沸点：
  309.2±37.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,3-dinitro-5-trimethoxymethylbenzene 在 盐酸 作用下， 以 丙酮 为溶剂， 以60%的产率得到3,5-二硝基苯甲酸甲酯
  参考文献：
  名称：

  Synthesis of 4-methoxy-3,5-dinitrobenzaldehyde: a correction to supposed tele nucleophilic aromatic substitution

  摘要：

  1,3-Dinitro-5-trichloromethylbenzene (2) was reacted with sodium methoxide in an attempt to prepare 4-methoxy-3,5-dinitrobenzaldehyde (7) via a reported tele nucleophilic aromatic substitution. The product from this reaction was methyl 3,5-dinitrobenzoate (5) and not the methoxy aldehyde as had been reported. The desired product was prepared by conventional nitration methodology from 4-methoxy-3-nitrobenzaldebyde. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00751-2
• 作为产物：
  描述：

  3,5-二硝基苯甲酸 在 苯膦酰二氯 、 五氯化磷 、 sodium methylate 作用下， 反应 15.0h， 生成 1,3-dinitro-5-trimethoxymethylbenzene
  参考文献：
  名称：

  Synthesis of 4-methoxy-3,5-dinitrobenzaldehyde: a correction to supposed tele nucleophilic aromatic substitution

  摘要：

  1,3-Dinitro-5-trichloromethylbenzene (2) was reacted with sodium methoxide in an attempt to prepare 4-methoxy-3,5-dinitrobenzaldehyde (7) via a reported tele nucleophilic aromatic substitution. The product from this reaction was methyl 3,5-dinitrobenzoate (5) and not the methoxy aldehyde as had been reported. The desired product was prepared by conventional nitration methodology from 4-methoxy-3-nitrobenzaldebyde. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00751-2