1,4-dibromo-2,3,5,6-hexakis-hexyloxy-benzene | 175229-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,4-dibromo-2,3,5,6-hexakis-hexyloxy-benzene
• 英文别名: 1,4-dibromo-2,3,5,6-tetrahexyloxybenzene；1,4-Dibromo-2,3,5,6-tetrahexoxybenzene
• CAS: 175229-01-3
• 化学式: C₃₀H₅₂Br₂O₄
• 分子量: 636.548
• InChiKey: XOIAIHFFSHBRRV-UHFFFAOYSA-N

物化性质

• 沸点：
  591.9±45.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  36
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-dibromo-2,3,5,6-hexakis-hexyloxy-benzene 在 氢氧化钾 、 四(三苯基膦)钯 、 水 、 caesium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 108.0h， 生成 4-[4-(4-carboxyphenyl)-2,3,5,6-tetrahexoxyphenyl]benzoic acid
  参考文献：
  名称：

  Synthesis of an extended hexagonal molecule as a highly symmetrical ligand

  摘要：

  An extended hexagonal molecule that has high symmetry and rigidity was designed and synthesized by a cobalt-catalyzed cyclotrimerization reaction. The ligand possesses six benzoic acids at its periphery, which were connected to a central hexakis(2,5-dodesyloxyphenyl)hexaphenylbenzene core with a maximum intramolecular carboxyl group distance of approximately 3.5 nm. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.014
• 作为产物：
  描述：

  2,5-二羟基-1,4-苯喹酮 在 platinum(IV) oxide 氢气 、 溴 、 potassium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 25.0~50.0 ℃ 、101.33 kPa 条件下， 反应 116.25h， 生成 1,4-dibromo-2,3,5,6-hexakis-hexyloxy-benzene
  参考文献：
  名称：

  Keegstra, Erik M. D.; Huisman, Bart-Hendrik; Paardekooper, Elizabeth M., Journal of the Chemical Society. Perkin Transactions 2 (2001), 1996, vol. 2, p. 229 - 240

  摘要：

  DOI：

文献信息

• Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal–Organic Frameworks for Selective Sorption
  作者：Mitchell H. Weston、Amelia A. Delaquil、Amy A. Sarjeant、Omar K. Farha、Joseph T. Hupp、SonBinh T. Nguyen

  DOI：10.1021/cg400342m

  日期：2013.7.3

  A series of isostructural noncatenated, water stable zinc based dipyridyl pillared-paddlewheel metal-organic frameworks (MOFs) was synthesized with tunable pore hydrophobicity. Pore hydrophobicity was engendered through dipyridyl ligands decorated with alkyl chains of varying length (methyl to hexyl). The most hydrophobic MOFs exhibited selective sorption of ethanol over water.
• Keegstra, Erik M. D.; Huisman, Bart-Hendrik; Paardekooper, Elizabeth M., Journal of the Chemical Society. Perkin Transactions 2 (2001), 1996, vol. 2, p. 229 - 240
  作者：Keegstra, Erik M. D.、Huisman, Bart-Hendrik、Paardekooper, Elizabeth M.、Hoogesteger, Frans J.、Zwikker, Jan W.、Jenneskens, Leonardus W.、Kooijman, Huub、Schouten, Arie、Veldman, Nora、Spek, Anthony L.

  DOI：——

  日期：——
• Synthesis of an extended hexagonal molecule as a highly symmetrical ligand
  作者：Masayoshi Takase、Atsushi Nakajima、Toshifumi Takeuchi

  DOI：10.1016/j.tetlet.2005.01.014

  日期：2005.3

  An extended hexagonal molecule that has high symmetry and rigidity was designed and synthesized by a cobalt-catalyzed cyclotrimerization reaction. The ligand possesses six benzoic acids at its periphery, which were connected to a central hexakis(2,5-dodesyloxyphenyl)hexaphenylbenzene core with a maximum intramolecular carboxyl group distance of approximately 3.5 nm. (C) 2005 Elsevier Ltd. All rights reserved.