4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol | 748771-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
• CAS: 748771-38-2
• 化学式: C₁₄H₉ClN₂O₂
• 分子量: 272.691
• InChiKey: AIVCLKMOWLMBFT-UHFFFAOYSA-N

物化性质

• 沸点：
  460.7±55.0 °C(Predicted)
• 密度：
  1.366±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  N-(3-氯丙基)吗啉 、 4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(3-{4-[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-phenoxy}-propyl)-morpholine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 3,5-diarylisoxazoles and 3,5-diaryl-1,2,4-oxadiazoles, novel classes of small molecule interleukin-8 (IL-8) receptor antagonists

  摘要：

  A novel series of 3,5-diarylisoxazole and 3,5-diaryl-1,2,4-oxadiazole IL-8 antagonists has been identified. These compounds exhibit activity in an IL-8 binding assay as well as in a functional assay of IL-8 induced elastase release from neutrophils. In addition, one of the compounds exhibits oral activity in a rat adjuvant arthritis model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.080
• 作为产物：
  描述：

  3-(p-chlorophenyl)-5-(β-amino-p-methoxylphenyl)-1,2,4-oxadiazole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 3,5-diarylisoxazoles and 3,5-diaryl-1,2,4-oxadiazoles, novel classes of small molecule interleukin-8 (IL-8) receptor antagonists

  摘要：

  A novel series of 3,5-diarylisoxazole and 3,5-diaryl-1,2,4-oxadiazole IL-8 antagonists has been identified. These compounds exhibit activity in an IL-8 binding assay as well as in a functional assay of IL-8 induced elastase release from neutrophils. In addition, one of the compounds exhibits oral activity in a rat adjuvant arthritis model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.080