{4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol | 180599-03-5

• 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: {4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol
• 英文别名: [4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanol
• CAS: 180599-03-5
• 化学式: C₁₉H₂₀N₂O₂
• 分子量: 308.38
• InChiKey: OKVSCUBYKVOWDX-UHFFFAOYSA-N

物化性质

• 熔点：
  108-110 °C(Solv: methanol (67-56-1))
• 沸点：
  471.7±55.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol 在 草酰氯 、 二甲基亚砜 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde
  参考文献：
  名称：

  Discovery of Potent 3,5-Diphenyl-1,2,4-oxadiazole Sphingosine-1-phosphate-1 (S1P₁) Receptor Agonists with Exceptional Selectivity against S1P₂ and S1P₃

  摘要：

  A class of 3,5-diphenyl-1,2,4-oxadiazole based compounds have been identified as potent sphingosine-1-phosphate-1 (S1P(1)) receptor agonists with minimal affinity for the S1P(2) and S1P3 receptor subtypes. Analogue 26 (S1P(1) IC50 = 0.6 nM) has an excellent pharmacokinetics profile in the rat and dog and is efficacious in a rat skin transplant model, indicating that S1P(3) receptor agonism is not a component of inummosuppressive efficacy.

  DOI：

  10.1021/jm0503244
• 作为产物：
  描述：

  4-叔丁基苯甲酸乙酯 在 2-氯-1,3-二甲基氯化咪唑啉 、 三乙胺 、 肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 {4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol
  参考文献：
  名称：

  Discovery of Potent 3,5-Diphenyl-1,2,4-oxadiazole Sphingosine-1-phosphate-1 (S1P₁) Receptor Agonists with Exceptional Selectivity against S1P₂ and S1P₃

  摘要：

  A class of 3,5-diphenyl-1,2,4-oxadiazole based compounds have been identified as potent sphingosine-1-phosphate-1 (S1P(1)) receptor agonists with minimal affinity for the S1P(2) and S1P3 receptor subtypes. Analogue 26 (S1P(1) IC50 = 0.6 nM) has an excellent pharmacokinetics profile in the rat and dog and is efficacious in a rat skin transplant model, indicating that S1P(3) receptor agonism is not a component of inummosuppressive efficacy.

  DOI：

  10.1021/jm0503244

文献信息

• POLYMERS FOR USE IN OPTICAL DEVICES
  申请人：——

  公开号：US20030008991A1

  公开（公告）日：2003-01-09

  Optical devices fabricated from solvent processible polymers suffer from susceptibility to solvents and morphological changes. A semiconductive polymer capable of luminescence in an optical device is provided. The polymer comprises a luminescent film-forming solvent processible polymer which contains cross-linking so as to increase its molar mass and to resist solvent dissolution, the cross-linking being such that the polymer retains semiconductive and luminescent properties.

  利用可溶性聚合物制造的光学器件易受溶剂和形态变化的影响。本发明提供了一种能在光学器件中发光的半导体聚合物。该聚合物包含一种发光薄膜形成的可溶性聚合物，其中交联增加了其摩尔质量并抵抗溶剂溶解，交联使聚合物保持半导体和发光特性。
• Polymers for use in optical devices
  申请人：Holmes Bruce Andrew

  公开号：US20050282983A1

  公开（公告）日：2005-12-22

  Optical devices fabricated from solvent processible polymers suffer from susceptibility to solvents and morphological changes. A semiconductive polymer capable of luminescence in an optical device is provided. The polymer comprises a luminescent film-forming solvent processible polymer which contains cross-linking so as to increase its molar mass and to resist solvent dissolution, the cross-linking being such that the polymer retains semiconductive and luminescent properties.

  由可溶性聚合物制造的光学器件易受溶剂和形态变化的影响。提供了一种能在光学器件中发光的半导体聚合物。该聚合物包括一种发光薄膜形成可溶性聚合物，其中包含交联以增加其摩尔质量并抵抗溶剂溶解，交联使聚合物保持半导体和发光特性。
• US6559256B2
  申请人：——

  公开号：US6559256B2

  公开（公告）日：2003-05-06
• US6723811B1
  申请人：——

  公开号：US6723811B1

  公开（公告）日：2004-04-20
• US6919415B2
  申请人：——

  公开号：US6919415B2

  公开（公告）日：2005-07-19