(4-{3,5-Bis-[3,4-bis-(4-dodecyloxy-benzyloxy)-benzyloxy]-benzyloxy}-phenyl)-methanol | 784212-91-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-{3,5-Bis-[3,4-bis-(4-dodecyloxy-benzyloxy)-benzyloxy]-benzyloxy}-phenyl)-methanol
• 英文别名: [4-[[3,5-Bis[[3,4-bis[(4-dodecoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methanol
• CAS: 784212-91-5
• 化学式: C₁₀₄H₁₄₆O₁₂
• 分子量: 1588.3
• InChiKey: XUCSWQAJMQOYJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.5
• 重原子数：
  116
• 可旋转键数：
  70
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (4-{3,5-Bis-[3,4-bis-(4-dodecyloxy-benzyloxy)-benzyloxy]-benzyloxy}-phenyl)-methanol 在 氯化亚砜 、 2,6-二叔丁基-4-甲基吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Percec, Virgil; Peterca, Mihai; Dulcey, Andres E., Journal of the American Chemical Society, 2008, vol. 130, p. 13079 - 13094

  摘要：

  DOI：
• 作为产物：
  描述：

  Methyl 4-[[3,5-bis[[3,4-bis[(4-dodecoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以93%的产率得到(4-{3,5-Bis-[3,4-bis-(4-dodecyloxy-benzyloxy)-benzyloxy]-benzyloxy}-phenyl)-methanol
  参考文献：
  名称：

  Self-Assembly, Structural, and Retrostructural Analysis of Dendritic Dipeptide Pores Undergoing Reversible Circular to Elliptical Shape Change

  摘要：

  The synthesis of dendritic dipeptides (4- 3,4- 3,5- 4) 12G2-CH2-Boc-L-Tyr- L-Ala-OMe and (4-3, 4-3,5-4) 12G2-CH2-Boc-D-Tyr-D-Ala-OMe is described. These dendritic dipeptides self-assemble into porous elliptical and circular columns that in turn self-organize into centered rectangular columnar and hexagonal columnar periodic arrays. The transition from porous elliptical to porous circular columns is mediated in a reversible or irreversible way by the thermal history of the sample. A method to determine the dimensions of hollow elliptical and circular columns by the reconstruction of the small-angle powder X-ray diffractograms of the centered rectangular or hexagonal columnar lattices was elaborated. This technique together with wide-angle X-ray experiments performed on aligned fibers provided access to the structural and retrostructural analysis of elliptical supramolecular pores. This procedure is general and can be adapted for the determination of the dimensions of pores of any columnar shape.

  DOI：

  10.1021/ja0611902

文献信息

• Self-Assembly, Structural, and Retrostructural Analysis of Dendritic Dipeptide Pores Undergoing Reversible Circular to Elliptical Shape Change
  作者：Mihai Peterca、Virgil Percec、Andrés E. Dulcey、Sami Nummelin、Stephanie Korey、Monica Ilies、Paul A. Heiney

  DOI：10.1021/ja0611902

  日期：2006.5.1

  The synthesis of dendritic dipeptides (4- 3,4- 3,5- 4) 12G2-CH2-Boc-L-Tyr- L-Ala-OMe and (4-3, 4-3,5-4) 12G2-CH2-Boc-D-Tyr-D-Ala-OMe is described. These dendritic dipeptides self-assemble into porous elliptical and circular columns that in turn self-organize into centered rectangular columnar and hexagonal columnar periodic arrays. The transition from porous elliptical to porous circular columns is mediated in a reversible or irreversible way by the thermal history of the sample. A method to determine the dimensions of hollow elliptical and circular columns by the reconstruction of the small-angle powder X-ray diffractograms of the centered rectangular or hexagonal columnar lattices was elaborated. This technique together with wide-angle X-ray experiments performed on aligned fibers provided access to the structural and retrostructural analysis of elliptical supramolecular pores. This procedure is general and can be adapted for the determination of the dimensions of pores of any columnar shape.
• US7671033B2
  申请人：——

  公开号：US7671033B2

  公开（公告）日：2010-03-02
• Percec, Virgil; Peterca, Mihai; Dulcey, Andres E., Journal of the American Chemical Society, 2008, vol. 130, p. 13079 - 13094
  作者：Percec, Virgil、Peterca, Mihai、Dulcey, Andres E.、Imam, Mohammad R.、Hudson, Steven D.、et al.

  DOI：——

  日期：——