1,4-bis(4-methoxyphenoxy)butane | 111647-69-9

• 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-bis(4-methoxyphenoxy)butane
• 英文别名: 1,4-bis-(4-methoxy-phenoxy)-butane；1,4-Bis-(4-methoxy-phenoxy)-butan；1-Methoxy-4-[4-(4-methoxyphenoxy)butoxy]benzene
• CAS: 111647-69-9
• 化学式: C₁₈H₂₂O₄
• 分子量: 302.37
• InChiKey: OPEIBGWSMLJQDI-UHFFFAOYSA-N

物化性质

• 沸点：
  450.1±30.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  聚合甲醛 、 1,4-bis(4-methoxyphenoxy)butane 、 对苯二甲醚 在 三氟化硼乙醚 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.5h， 以6%的产率得到4,9,14,19,24,26,28,30,32-Nonamethoxy-34-[4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]butoxy]hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3,5,8,10,13,15,18(29),19,21(28),23(27),24,30,32,34-pentadecaene
  参考文献：
  名称：

  Synthesis of Pillar[5]arene Dimers and Their Cooperative Binding toward Some Neutral Guests

  摘要：

  Three pillar[5]arene dimers, bridged by a flexible aliphatic chain (H1) or a relatively rigid phenylene unit (H2 and H3), were synthesized, with the possible synthetic strategies being discussed. The dimers could significantly enhance the binding affinities toward neutral model substrates in comparison with monomeric 1,4-dimethoxypillar[5]arene (H4) through the cooperative binding of two pillar[5]arene moieties. The molecular binding ability and selectivity are discussed from the viewpoints of the size/shape-fit concept and multiple recognition mechanism.

  DOI：

  10.1021/ol2027834
• 作为产物：
  描述：

  1,4-二溴丁烷 、 4-甲氧基苯酚 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 1,4-bis(4-methoxyphenoxy)butane
  参考文献：
  名称：

  Baliah, V.; Aparajithan, K., Journal of the Indian Chemical Society, 1992, vol. 69, # 5, p. 255 - 259

  摘要：

  DOI：

文献信息

• Ashley et al., Journal of the Chemical Society, 1958, p. 3298,3308
  作者：Ashley et al.

  DOI：——

  日期：——
• Assessments for the courts: A survey of Australian psychologists
  作者：Alfred Allan、Mary‐Anne Martin、Maria M Allan

  DOI：10.1080/13218710009524981

  日期：2000.11
• Baliah, V.; Aparajithan, K., Journal of the Indian Chemical Society, 1992, vol. 69, # 5, p. 255 - 259
  作者：Baliah, V.、Aparajithan, K.

  DOI：——

  日期：——
• Synthesis of Pillar[5]arene Dimers and Their Cooperative Binding toward Some Neutral Guests
  作者：Chunju Li、Kang Han、Jian Li、Haichang Zhang、Junwei Ma、Xiaoyan Shu、Zhenxia Chen、Linhong Weng、Xueshun Jia

  DOI：10.1021/ol2027834

  日期：2012.1.6

  Three pillar[5]arene dimers, bridged by a flexible aliphatic chain (H1) or a relatively rigid phenylene unit (H2 and H3), were synthesized, with the possible synthetic strategies being discussed. The dimers could significantly enhance the binding affinities toward neutral model substrates in comparison with monomeric 1,4-dimethoxypillar[5]arene (H4) through the cooperative binding of two pillar[5]arene moieties. The molecular binding ability and selectivity are discussed from the viewpoints of the size/shape-fit concept and multiple recognition mechanism.