2-(((6-bromohexyl)oxy)methyl)-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine | 1041851-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(((6-bromohexyl)oxy)methyl)-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
• CAS: 1041851-22-2
• 化学式: C₃₁H₄₅BrO₉
• 分子量: 641.597
• InChiKey: CABRQNYIANGDFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  83.07
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-(((6-bromohexyl)oxy)methyl)-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine 、 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Self-Sorting Organization of Two Heteroditopic Monomers to Supramolecular Alternating Copolymers

  摘要：

  Self-sorting organization of two AB-type heteroditopic monomers led to the formation of linear supramolecular alternating copolymers driven by host-guest noncovalent interactions based on the bis(p-phenylene)-34-crown-10/paraquat derivative and dibenzo-24-crown-8/dibenzylammonium salt recognition motifs as confirmed by H-1 NMR, cyclic voltammetry, dynamic light scattering, viscosity measurements, and scanning electron microscopy.

  DOI：

  10.1021/ja8035465
• 作为产物：
  描述：

  1,6-二溴己烷 、 4-hydroxymethyldibenzo-24-crown-8 ether 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以68%的产率得到2-(((6-bromohexyl)oxy)methyl)-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
  参考文献：
  名称：

  Self-Sorting Organization of Two Heteroditopic Monomers to Supramolecular Alternating Copolymers

  摘要：

  Self-sorting organization of two AB-type heteroditopic monomers led to the formation of linear supramolecular alternating copolymers driven by host-guest noncovalent interactions based on the bis(p-phenylene)-34-crown-10/paraquat derivative and dibenzo-24-crown-8/dibenzylammonium salt recognition motifs as confirmed by H-1 NMR, cyclic voltammetry, dynamic light scattering, viscosity measurements, and scanning electron microscopy.

  DOI：

  10.1021/ja8035465