5-(1,3-Dioxolan-2-yl)-1,3-benzenedicarboxylic acid | 226249-78-1

• 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: 5-(1,3-Dioxolan-2-yl)-1,3-benzenedicarboxylic acid
• 英文别名: 5-(1,3-dioxolan-2-yl)benzene-1,3-dicarboxylic acid
• CAS: 226249-78-1
• 化学式: C₁₁H₁₀O₆
• 分子量: 238.197
• InChiKey: MEIJCFIDHMWVEP-UHFFFAOYSA-N

物化性质

• 沸点：
  492.5±45.0 °C(Predicted)
• 密度：
  1.488±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(1,3-Dioxolan-2-yl)-1,3-benzenedicarboxylic acid 在 盐酸 作用下， 以 丙酮 为溶剂， 生成 5-formylisophthalic acid
  参考文献：
  名称：

  Synthesis, structural, EPR and magnetic analysis of nitronyl-nitroxide labelled isophthalic acid

  摘要：

  The high yield synthesis of an isophthalic acid derivative bearing a nitronyl-nitroxide moiety at the 5-position was achieved. The structural analysis in the crystalline phase by X-ray diffraction on single crystals revealed the formation of a 3-D network through strong H-bonds between the acid groups and the nitronyl-nitroxide moieties. The spin label obtained was also analysed by EPR spectroscopy which showed a five line pattern with a(N)=7.51 G and a g-factor of 2.0066. Magnetic measurements revealed that at low temperature, the systeme showed a Curie-Weiss like behaviour with weak ferromagnetic intermolecular interactions. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00330-5
• 作为产物：
  描述：

  diethyl 5-formylisophthalate 在 sodium hydroxide 、 对甲苯磺酸 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 5-(1,3-Dioxolan-2-yl)-1,3-benzenedicarboxylic acid
  参考文献：
  名称：

  Synthesis, structural, EPR and magnetic analysis of nitronyl-nitroxide labelled isophthalic acid

  摘要：

  The high yield synthesis of an isophthalic acid derivative bearing a nitronyl-nitroxide moiety at the 5-position was achieved. The structural analysis in the crystalline phase by X-ray diffraction on single crystals revealed the formation of a 3-D network through strong H-bonds between the acid groups and the nitronyl-nitroxide moieties. The spin label obtained was also analysed by EPR spectroscopy which showed a five line pattern with a(N)=7.51 G and a g-factor of 2.0066. Magnetic measurements revealed that at low temperature, the systeme showed a Curie-Weiss like behaviour with weak ferromagnetic intermolecular interactions. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00330-5

文献信息

• Synthesis, structural, EPR and magnetic analysis of nitronyl-nitroxide labelled isophthalic acid
  作者：Olivier Félix、Mir Wais Hosseini、AndréDe Cian、Jean Fischer、Laure Catala、Philippe Turek

  DOI：10.1016/s0040-4039(99)00330-5

  日期：1999.4

  The high yield synthesis of an isophthalic acid derivative bearing a nitronyl-nitroxide moiety at the 5-position was achieved. The structural analysis in the crystalline phase by X-ray diffraction on single crystals revealed the formation of a 3-D network through strong H-bonds between the acid groups and the nitronyl-nitroxide moieties. The spin label obtained was also analysed by EPR spectroscopy which showed a five line pattern with a(N)=7.51 G and a g-factor of 2.0066. Magnetic measurements revealed that at low temperature, the systeme showed a Curie-Weiss like behaviour with weak ferromagnetic intermolecular interactions. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.