In(OH)(H2O)(1,4-benzendicarboxyliate) | 1559065-86-9

• 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: In(OH)(H2O)(1,4-benzendicarboxyliate)
• 英文别名: In(OH)(H₂O)(1,4-benzendicarboxyliate)
• CAS: 1559065-86-9
• 化学式: C₈H₄O₄*HO*H₂O*In
• 分子量: 313.96
• InChiKey: OQVHUZSCGGREDM-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -2.97
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  141.76
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  对苯二甲酸 、 indium(III) chloride tetrahydrate 在 dodecatungstophosphoric acid hydrate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 96.0h， 以70%的产率得到In(OH)(H2O)(1,4-benzendicarboxyliate)
  参考文献：
  名称：

  A 3D In(III) coordination polymer derived from rigid dicarboxylate ligand: Synthesis, crystal structure and catalytic property

  摘要：

  A new indium coordination polymer, In(OH)(H2O)(1,4-bdc) (1,4-H(2)bdc = 1, 4-benzendicarboxylic acid), has been prepared under solvothermal conditions using a mixture of rigid organic linker and inorganic heteropolyacid (12-phosphotungstic acid) template. Single-crystal X-ray diffraction analysis reveals that this new compound possesses a 3D framework with the square-shaped channels constructed from the infinite indium-oxide chains and rigid 1,4-bdc ligands. This compound exhibits good catalytic activity for the cyanosilylation of aromatic aldehydes and can be reused three times without losing activity or significant mass. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.11.014
• 作为试剂：
  描述：

  三甲基氰硅烷 、 4-氰基苯甲醛 在 In(OH)(H2O)(1,4-benzendicarboxyliate) 作用下， 以 乙腈 为溶剂， 反应 94.0h， 以98%的产率得到2-(4-cyanophenyl)-2-(trimethylsilyloxy)acetonitrile
  参考文献：
  名称：

  A 3D In(III) coordination polymer derived from rigid dicarboxylate ligand: Synthesis, crystal structure and catalytic property

  摘要：

  A new indium coordination polymer, In(OH)(H2O)(1,4-bdc) (1,4-H(2)bdc = 1, 4-benzendicarboxylic acid), has been prepared under solvothermal conditions using a mixture of rigid organic linker and inorganic heteropolyacid (12-phosphotungstic acid) template. Single-crystal X-ray diffraction analysis reveals that this new compound possesses a 3D framework with the square-shaped channels constructed from the infinite indium-oxide chains and rigid 1,4-bdc ligands. This compound exhibits good catalytic activity for the cyanosilylation of aromatic aldehydes and can be reused three times without losing activity or significant mass. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.11.014