1-(p-methoxyphenyl)-3-methyltriazene | 53477-43-3

• 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: 1-(p-methoxyphenyl)-3-methyltriazene
• 英文别名: 1-(4-methoxyphenyl)-3-methyltriazene；4-methoxy-N-(methyldiazenyl)aniline
• CAS: 53477-43-3
• 化学式: C₈H₁₁N₃O
• 分子量: 165.195
• InChiKey: MFIHLFSFDPACQE-UHFFFAOYSA-N

物化性质

• 沸点：
  293.03°C (rough estimate)
• 密度：
  1.1669 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.91
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.98
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(p-methoxyphenyl)-3-methyltriazene 、 乙酰氯 在 吡啶 作用下， 生成 1-(4-methoxy-phenyl)-3-acetyl-3-methyltriazene
  参考文献：
  名称：

  Substituent effects on13C and15N chemical shifts in triazenes studied by principal components multivariate data analysis

  摘要：

  AbstractPrincipal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1‐(para‐substituted‐phenyl)‐3‐acetyl‐3‐methyltriazenes. It was found that the halogen‐substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one‐component model described the halogen class, whereas a two‐component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.

  DOI：

  10.1002/omr.1270210710
• 作为产物：
  描述：

  para-methoxyphenyldiazonium chloride 、 甲胺 生成 1-(p-methoxyphenyl)-3-methyltriazene
  参考文献：
  名称：

  Substituent effects on13C and15N chemical shifts in triazenes studied by principal components multivariate data analysis

  摘要：

  AbstractPrincipal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1‐(para‐substituted‐phenyl)‐3‐acetyl‐3‐methyltriazenes. It was found that the halogen‐substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one‐component model described the halogen class, whereas a two‐component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.

  DOI：

  10.1002/omr.1270210710

文献信息

• Laila, Abdulhameed A. R., Gazzetta Chimica Italiana, 1989, vol. 119, # 8, p. 453 - 456
  作者：Laila, Abdulhameed A. R.

  DOI：——

  日期：——
• [EN] BITTER TASTE MODULATORS<br/>[FR] MODULATEURS DE GOÛT AMER
  申请人：SENOMYX INC

  公开号：WO2011159781A2

  公开（公告）日：2011-12-22

  The present invention includes antagonists of human type 2 taste receptors (hT2Rs) having structural Formula (I). The present invention also provides compositions containing these antagonists, the use of these antagonists for modulating taste perception, particularly bitter taste, and the method of preparing these antagonists (I).
• Substituent effects on13C and15N chemical shifts in triazenes studied by principal components multivariate data analysis
  作者：W. J. Dunn、C. Lins、G. Kumar、T. Manimaran、S. Grigoras、U. Edlund、S. Wold

  DOI：10.1002/omr.1270210710

  日期：1983.7

  AbstractPrincipal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1‐(para‐substituted‐phenyl)‐3‐acetyl‐3‐methyltriazenes. It was found that the halogen‐substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one‐component model described the halogen class, whereas a two‐component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.