4-(2-hexyldecyl)-2-nitrophenol | 1228301-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(2-hexyldecyl)-2-nitrophenol
• CAS: 1228301-95-8
• 化学式: C₂₂H₃₇NO₃
• 分子量: 363.541
• InChiKey: DWCSPNZSZBYYES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  26.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  63.37
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(2-hexyldecyl)-2-nitrophenol 在 1% Pd/C 、 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 以77%的产率得到4-(2-hexyldecyl)-2-aminophenol
  参考文献：
  名称：

  Columnar Organization of Head-to-Tail Self-Assembled Pt₄ Rings

  摘要：

  Coordination of Pt2+ to a family of tunable Schiff base proligands directs the 12-component self-assembly of disk-shaped Pt-4 rings in a head-to-tail fashion. Aggregation of these S-4 symmetric Pt-4 macrocycles into columnar architectures was investigated by dynamic and static light scattering, NMR spectroscopy, powder X-ray diffraction, and transmission electron microscopy. Data from these experiments support the formation of columnar architectures for all of the structures studied except when bulky tris(4-tert-butylphenyl)methyl substituents were present. In this case, aggregation was limited to dimers in CHCl3 (K-dim = 3200 +/- 200 L mol(-1) at 25 degrees C) and a thermodynamic analysis revealed that dimerization is an entropy driven process. Columnar architectures of Pt-4 rings with branched 2-hexyldecyl substituents organize into lyotropic mesophases in nonpolar organic solvents. These new self-assembled supramolecules are promising candidates to access nanotubes with multiple linear arrays of Pt2+ ions.

  DOI：

  10.1021/ja910886g
• 作为产物：
  描述：

  4-(2-hexyldecyl)phenol 在 乙酸酐 作用下， 以 乙醚 为溶剂， 反应 34.0h， 以92%的产率得到4-(2-hexyldecyl)-2-nitrophenol
  参考文献：
  名称：

  Columnar Organization of Head-to-Tail Self-Assembled Pt₄ Rings

  摘要：

  Coordination of Pt2+ to a family of tunable Schiff base proligands directs the 12-component self-assembly of disk-shaped Pt-4 rings in a head-to-tail fashion. Aggregation of these S-4 symmetric Pt-4 macrocycles into columnar architectures was investigated by dynamic and static light scattering, NMR spectroscopy, powder X-ray diffraction, and transmission electron microscopy. Data from these experiments support the formation of columnar architectures for all of the structures studied except when bulky tris(4-tert-butylphenyl)methyl substituents were present. In this case, aggregation was limited to dimers in CHCl3 (K-dim = 3200 +/- 200 L mol(-1) at 25 degrees C) and a thermodynamic analysis revealed that dimerization is an entropy driven process. Columnar architectures of Pt-4 rings with branched 2-hexyldecyl substituents organize into lyotropic mesophases in nonpolar organic solvents. These new self-assembled supramolecules are promising candidates to access nanotubes with multiple linear arrays of Pt2+ ions.

  DOI：

  10.1021/ja910886g