4,4'-dihydroxy-3'-nitrobiphenyl-3-carbaldehyde | 1395322-82-3

• 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: 4,4'-dihydroxy-3'-nitrobiphenyl-3-carbaldehyde
• CAS: 1395322-82-3
• 化学式: C₁₃H₉NO₅
• 分子量: 259.218
• InChiKey: VGXWRSKWZWOFRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100.67
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4,4'-dihydroxy-3'-nitrobiphenyl-3-carbaldehyde 在 sodium dithionite 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以99%的产率得到7,19,31-Triazaheptacyclo[31.3.1.12,6.19,13.114,18.121,25.126,30]dotetraconta-1(37),2(42),3,5,7,9,11,13(41),14(40),15,17,19,21,23,25(39),26(38),27,29,31,33,35-henicosaene-5,10,17,22,29,34-hexol
  参考文献：
  名称：

  Synthesis and Characterization of Linear and Macrocyclic Ligands with Multiple Hemisalen Pockets

  摘要：

  Procedures for the convenient preparation of new ligands possessing multiple metal binding sites are presented. Among those, a Schiff base macrocycle exhibiting three outward hemisalen pockets was synthesized using a one-pot reduction/condensation reaction. These ligands are promising building blocks for supramolecular architectures such as metal-organic frameworks or polyhedra.

  DOI：

  10.1080/00397911.2011.579382
• 作为产物：
  描述：

  2-羟基-5-(4-羟基苯基)苯甲醛 在 硝酸 、 溶剂黄146 作用下， 反应 0.08h， 以99%的产率得到4,4'-dihydroxy-3'-nitrobiphenyl-3-carbaldehyde
  参考文献：
  名称：

  Synthesis and Characterization of Linear and Macrocyclic Ligands with Multiple Hemisalen Pockets

  摘要：

  Procedures for the convenient preparation of new ligands possessing multiple metal binding sites are presented. Among those, a Schiff base macrocycle exhibiting three outward hemisalen pockets was synthesized using a one-pot reduction/condensation reaction. These ligands are promising building blocks for supramolecular architectures such as metal-organic frameworks or polyhedra.

  DOI：

  10.1080/00397911.2011.579382