N,N'-bis(isophthalyl)-2,6-naphthalenedicarboxylate | 749846-69-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N,N'-bis(isophthalyl)-2,6-naphthalenedicarboxylate
• 英文别名: 5,5׳-((naphthalene-2,6-dicarbonyl)bis(azanediyl))diisophthalic acid；5-[[6-[(3,5-Dicarboxyphenyl)carbamoyl]naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid；5-[[6-[(3,5-dicarboxyphenyl)carbamoyl]naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
• CAS: 749846-69-3
• 化学式: C₂₈H₁₈N₂O₁₀
• 分子量: 542.458
• InChiKey: VHPDBFHKMZQPPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  765.5±60.0 °C(predicted)
• 密度：
  1.636±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  207
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N,N'-bis(isophthalyl)-2,6-naphthalenedicarboxylate 在 氯化亚砜 作用下， 反应 24.0h， 生成
  参考文献：
  名称：

  Cross-Linked Bis-hemoglobins:  Connections and Oxygen Binding

  摘要：

  Covalently linked pairs of cross-linked hemoglobin tetramers ("bis-tetramers", shown schematically as 6-8) were prepared by reacting hemoglobin A with tetrakis acyl phosphate esters (3-5). The effects of the link between tetramers are observed in the oxygen-binding properties of the bis-tetramers: they bind oxygen cooperatively but with Hill coefficients (n(50)) lower than that of the native protein and with a high average affinity. The bis-tetramers with longer connections between tetramers show a higher n(50), suggesting that steric interactions between the tetramers affect cooperativity. These results correlate to the observed reduced vasoactivity of heterogeneous solutions of oligomeric cross-linked hemoglobin tetramers.

  DOI：

  10.1021/ja036596i
• 作为产物：
  描述：

  2,6-萘二羧酸 、 5-氨基间苯二甲酸 在 4-二甲氨基吡啶 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 18.0h， 以0.93 g的产率得到N,N'-bis(isophthalyl)-2,6-naphthalenedicarboxylate
  参考文献：
  名称：

  Cross-Linked Bis-hemoglobins:  Connections and Oxygen Binding

  摘要：

  Covalently linked pairs of cross-linked hemoglobin tetramers ("bis-tetramers", shown schematically as 6-8) were prepared by reacting hemoglobin A with tetrakis acyl phosphate esters (3-5). The effects of the link between tetramers are observed in the oxygen-binding properties of the bis-tetramers: they bind oxygen cooperatively but with Hill coefficients (n(50)) lower than that of the native protein and with a high average affinity. The bis-tetramers with longer connections between tetramers show a higher n(50), suggesting that steric interactions between the tetramers affect cooperativity. These results correlate to the observed reduced vasoactivity of heterogeneous solutions of oligomeric cross-linked hemoglobin tetramers.

  DOI：

  10.1021/ja036596i

文献信息

• A new 3D Co(II)–organic framework with acylamide-containing tetracarboxylate ligand: Solvothermal synthesis, crystal structure, gas adsorption and magnetic property
  作者：Qingfu Zhang、Haina Zhang、Aijing Geng、Suna Wang、Chong Zhang

  DOI：10.1016/j.jssc.2014.01.018

  日期：2014.4

  synthesized and characterized by elemental analysis, IR, TGA, PXRD and single-crystal X-ray crystallography. The structural analysis reveals that complex 1 is a 3D framework built from nanosized acylamide-containing tetracarboxylate ligands (L4−) and dinuclear [Co2(CO2)4] secondary building units (SBUs), exhibiting a uninodal (4,4)-connected crb topology with the Schläfli symbol of (4•65). The desolvated complex

  一种新的钴（II）-有机骨架，[Co 2（L）（py）2（DMSO）] n •0.5 n DMF•2 n DMSO（1）[H 4 L = 5,5׳-（（萘- 2,6-二羰基）双（氮杂二烷基）二间苯二甲酸，py =吡啶，DMSO =二甲基亚砜，DMF = N，N-二甲基甲酰胺]，已通过溶剂热合成并通过元素分析，IR，TGA，PXRD和单-晶体X射线晶体学。结构分析表明，配合物1是一个3D框架，由纳米级的含酰基酰胺的四羧酸盐配体（L 4−）和双核[Co 2（CO 2）4构成]二级建筑单元（SBU），具有单节点（4,4）连接的crb拓扑，其Schläfli符号为（4•6 5）。脱溶剂的配合物（1a）对CO 2的吸附能力比对N 2的吸附能力强，这可能是由于骨架中CO 2分子与酰胺基之间的结合亲和力较强。磁性研究表明，在配合物1中观察到了主要的反铁磁相互作用。