2-(4-Nitrophenyl)-5-(4-methoxyphenyl)thiophene | 158954-18-8

• 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-(4-Nitrophenyl)-5-(4-methoxyphenyl)thiophene
• 英文别名: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)thiophene
• CAS: 158954-18-8
• 化学式: C₁₇H₁₃NO₃S
• 分子量: 311.361
• InChiKey: JNOACYJDBPZIMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-Nitrophenyl)-5-(4-methoxyphenyl)thiophene 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 4-(5-(4-Methoxyphenyl)thiophen-2-yl)benzenamine
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel thiophene derivatives for β-amyloid plaque imaging

  摘要：

  Novel 2,5-diphenylthiophene derivatives were synthesized and structure activity relationship with regard to A beta plaque binding was studied. Binding affinities of these compounds were found to range from 3.9 to >1000 nM, depending on the substitution patterns on the phenyl ring. The fluoroethyl-substituted thiophene derivatives showed excellent binding affinities. These compounds may be useful for the development of novel PET tracers for the imaging of beta-amyloid plaques in the brain of patients with Alzheimer's disease. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.055
• 作为产物：
  描述：

  对甲氧基苯乙酮 在 sodium sulfide 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.17h， 生成 2-(4-Nitrophenyl)-5-(4-methoxyphenyl)thiophene
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel thiophene derivatives for β-amyloid plaque imaging

  摘要：

  Novel 2,5-diphenylthiophene derivatives were synthesized and structure activity relationship with regard to A beta plaque binding was studied. Binding affinities of these compounds were found to range from 3.9 to >1000 nM, depending on the substitution patterns on the phenyl ring. The fluoroethyl-substituted thiophene derivatives showed excellent binding affinities. These compounds may be useful for the development of novel PET tracers for the imaging of beta-amyloid plaques in the brain of patients with Alzheimer's disease. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.055

文献信息

• Kirsch, Gilbert; Prim, Damien; Leising, Frederic, Journal of Heterocyclic Chemistry, 1994, vol. 31, # 4, p. 1005 - 1010
  作者：Kirsch, Gilbert、Prim, Damien、Leising, Frederic、Mignani, Gerard

  DOI：——

  日期：——