3-tert.-Butyl-5-(4-chlor-phenyl)-1,2,4-oxadiazol | 21614-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-tert.-Butyl-5-(4-chlor-phenyl)-1,2,4-oxadiazol
• 英文别名: 3-tert-butyl-5-(4-chloro-phenyl)-[1,2,4]oxadiazole；3-Tert-butyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
• CAS: 21614-46-0
• 化学式: C₁₂H₁₃ClN₂O
• 分子量: 236.701
• InChiKey: JGQOGPZHEBCBHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Methyl 4-chlorobenzenecarboximidate 、 tert-butyl nitrile oxide 以 乙醚 为溶剂， 生成 3-tert.-Butyl-5-(4-chlor-phenyl)-1,2,4-oxadiazol
  参考文献：
  名称：

  腈氧化物的偶极加成反应。七。合成3,5-二取代的1,2,4-恶二唑的新通用方法。

  摘要：

  DOI：

  10.1016/s0040-4039(01)87679-6

文献信息

• Purine diones as Wnt pathway modulators
  申请人：Agency for Science, Technology and Research

  公开号：US10472360B2

  公开（公告）日：2019-11-12

  The invention relates to the use of compounds of general structure (I) in modulation of the Wnt pathway [Formula should be inserted here] wherein R1, R2, R3, R4 and R5 are each, independently, H or an alkyl group; D is selected from the group consisting of H, halogen, alkyl, cycloalkyl, aryl, and dialkylamino, each (other than H and halogen) being optionally substituted; Ar is an aryl or heteroaryl group, optionally substituted; Cy is an aryl, heteroaryl or a saturated ring containing at least one heteroatom, each being optionally substituted; and n is an integer from 1 to 3.

  本发明涉及一般结构(I)化合物在调节 Wnt 通路中的用途[此处应插入式子] 其中 R1、R2、R3、R4 和 R5 各自独立地为 H 或烷基； D 选自 H、卤素、烷基、环烷基、芳基和二烷基氨基组成的组，每种基团（H 和卤素除外）均被任选取代；Ar 是芳基或杂芳基，任选被取代；Cy 是芳基、杂芳基或含有至少一个杂原子的饱和环，每种基团均被任选取代；以及 n 是 1 至 3 的整数。
• Purine Diones As Wnt Pathway Modulators
  申请人：Agency for Science, Technology and Research

  公开号：US20170334912A1

  公开（公告）日：2017-11-23

  The invention relates to the use of compounds of general structure (I) in modulation of the Wnt pathway [Formula should be inserted here] wherein R 1 , R 2 , R 3 , R 4 and R 5 are each, independently, H or an alkyl group; D is selected from the group consisting of H, halogen, alkyl, cycloalkyl, aryl, and dialkylamino, each (other than H and halogen) being optionally substituted; Ar is an aryl or heteroaryl group, optionally substituted; Cy is an aryl, heteroaryl or a saturated ring containing at least one heteroatom, each being optionally substituted; and n is an integer from 1 to 3.