3,4-bis(carboxymethoxy)benzoic acid | 19565-57-2

• 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: 3,4-bis(carboxymethoxy)benzoic acid
• 英文别名: Bis(carboxymethyl)protocatechinsaeure
• CAS: 19565-57-2
• 化学式: C₁₁H₁₀O₈
• 分子量: 270.196
• InChiKey: WHDIBYPTVZLEAQ-UHFFFAOYSA-N

物化性质

• 沸点：
  538.6±40.0 °C(Predicted)
• 密度：
  1.568±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  19.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  130.36
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3,4-bis(carboxymethoxy)benzoic acid 在 strontium (III) chloride hexahydrate 、 水 、 sodium hydroxide 作用下， 反应 72.0h， 以30%的产率得到
  参考文献：
  名称：

  Self-assembly of a series of metal–organic frameworks with semi-rigid multicarboxylate 3,4-bis(carboxymethoxy)benzoic acid ligands

  摘要：

  Seven new metal-organic frameworks based on 3,4-bis(carboxymethoxy)benzoic acid (H(3)bcba), 3,5-bis (4-pyridyl)-1,2,4-triazolyl (Hbpt) or 4,4'-bipyridyl (4,4'-bipy), named [Sr-3(bcba)(2)(H2O)(3)](n) (1), [Sr (Hbcba)(H2O)(3)](n) (2), [Zn(Hbcba)(H2O)(2)](n) (3), [Zn-3(bcba)(2)(Hbpt)(2)(H2O)(2)]. (4), [Zn-3(bcba)(2)(4,4'-bipy)(2)]n center dot nH(2)O (5), [Eu(bcba)(H2O)](n)center dot nH(2)O (6) and [Nd(bcba)(H2O)](n)center dot nH(2)O (7), have been successfully synthesized via hydrothermal reaction. Single crystal X-ray diffraction reveals that complexes 1, 3, 4 have one-dimensional (1D) zigzag chains, while the rest are composed of 1D double chains. The 3D network in complex 2 and 3 is formed by hydrogen bonds. Complex 4 constitutes a (3,3,4)-connected network and complex 5 constitutes a (4,5,6) -connected network. Complex 6 and 7 are isomorphous. In addition, the thermogravimetric analyses (TGA) for complexes 1-6 are discussed, and the luminescent properties of complex 3-6 have been also investigated. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.06.039
• 作为产物：
  描述：

  原儿茶酸 、 氯乙酸 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以65%的产率得到3,4-bis(carboxymethoxy)benzoic acid
  参考文献：
  名称：

  Self-assembly of a series of metal–organic frameworks with semi-rigid multicarboxylate 3,4-bis(carboxymethoxy)benzoic acid ligands

  摘要：

  Seven new metal-organic frameworks based on 3,4-bis(carboxymethoxy)benzoic acid (H(3)bcba), 3,5-bis (4-pyridyl)-1,2,4-triazolyl (Hbpt) or 4,4'-bipyridyl (4,4'-bipy), named [Sr-3(bcba)(2)(H2O)(3)](n) (1), [Sr (Hbcba)(H2O)(3)](n) (2), [Zn(Hbcba)(H2O)(2)](n) (3), [Zn-3(bcba)(2)(Hbpt)(2)(H2O)(2)]. (4), [Zn-3(bcba)(2)(4,4'-bipy)(2)]n center dot nH(2)O (5), [Eu(bcba)(H2O)](n)center dot nH(2)O (6) and [Nd(bcba)(H2O)](n)center dot nH(2)O (7), have been successfully synthesized via hydrothermal reaction. Single crystal X-ray diffraction reveals that complexes 1, 3, 4 have one-dimensional (1D) zigzag chains, while the rest are composed of 1D double chains. The 3D network in complex 2 and 3 is formed by hydrogen bonds. Complex 4 constitutes a (3,3,4)-connected network and complex 5 constitutes a (4,5,6) -connected network. Complex 6 and 7 are isomorphous. In addition, the thermogravimetric analyses (TGA) for complexes 1-6 are discussed, and the luminescent properties of complex 3-6 have been also investigated. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.06.039