2,6-carboxynaphthalene phosphonic acid | 1229224-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,6-carboxynaphthalene phosphonic acid
• 英文别名: H3cnp
• CAS: 1229224-20-7
• 化学式: C₁₁H₉O₅P
• 分子量: 252.163
• InChiKey: WQTUPKGPMDTHDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.34
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.83
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [Cu2(OAc)4(H2O)2] 、 2,6-carboxynaphthalene phosphonic acid 在 aq. HF 作用下， 以 水 为溶剂， 以80%的产率得到[Cu(Hcnp)]
  参考文献：
  名称：

  Metal-organophosphonates: hydrothermal synthesis and structures of [Cu(O3PC10H6CO2H)] and [Cu(bpy)(HO3PC10H6CO2)] (H2O3PC10H6CO2H=2,6-carboxynaphthalene phosphonic acid)

  摘要：

  Hydrothermal methods were used to prepare [Cu(O3PC10H6CO2H)] (1) and [Cu(bpy)(HO3PC10H6CO2)]center dot 2H(2)O (2 center dot 2H(2)O), where H2O3PC10H6CO2H is 2,6-carboxynaphthalene phosphonic acid (H(3)cnp). The two-dimensional structure of 1 consists of layers of edge-sharing {CuO6} octahedra, producing an AlCl3-type structure of fused hexagonal rings of copper octahedra, enclosing voids of hexagonal profile. The layer composition is CuO3 or CuO6/(2) as each oxygen bridges two copper sites. The Hcnp ligands project from either face of the copper "oxide" layer. Adjacent layers interact through hydrogen bonding interactions between the pendant -CO2H groups of the ligand. Coordination of the bipyridine ligand in [Cu(HO3PC10H6CO2)] (2) obstructs expansion in two-dimensions, and the material exhibits a chain structure. The chain is constructed of binuclear units of edge-sharing '4+1' {CuO3N2} square pyramids linked through the dipodal {HO3PC10H6CO2}(2-) ligands. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.005