4-Azido-N-(4-azido-phenyl)-benzamide | 156351-29-0

• 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-Azido-N-(4-azido-phenyl)-benzamide
• 英文别名: 4-azido-N-(4-azidophenyl)benzamide
• CAS: 156351-29-0
• 化学式: C₁₃H₉N₇O
• 分子量: 279.261
• InChiKey: SMYPXOSVWMHKQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Azido-N-(4-azido-phenyl)-benzamide 以 various solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Isomeric N-(Nitrenophenyl)nitrenobenzamides. Comparison of the Energy Differences between Their Singlet and Quintet States Obtained Computationally and Experimentally

  摘要：

  The sign and magnitude of the intramolecular magnetic coupling between the two triplet nitrene units through the benzanilide chromophore have beep studied by temperature dependence of their EPR fine structures; The results that the interactions are ferromagnetic in the m,p' and m',p isomers and antiferromagnetic in the p,p' and m,m' isomers were corroborated by semiempirical CI calculations.

  DOI：

  10.1021/jo00087a007
• 作为产物：
  描述：

  4,4'-二氨基苯酰替苯胺 在 sodium azide 、 sodium nitrite 作用下， 生成 4-Azido-N-(4-azido-phenyl)-benzamide
  参考文献：
  名称：

  Isomeric N-(Nitrenophenyl)nitrenobenzamides. Comparison of the Energy Differences between Their Singlet and Quintet States Obtained Computationally and Experimentally

  摘要：

  The sign and magnitude of the intramolecular magnetic coupling between the two triplet nitrene units through the benzanilide chromophore have beep studied by temperature dependence of their EPR fine structures; The results that the interactions are ferromagnetic in the m,p' and m',p isomers and antiferromagnetic in the p,p' and m,m' isomers were corroborated by semiempirical CI calculations.

  DOI：

  10.1021/jo00087a007

文献信息

• Size-Specific Ligands for RNA Hairpin Loops
  作者：Jason R. Thomas、Xianjun Liu、Paul J. Hergenrother

  DOI：10.1021/ja051685b

  日期：2005.9.1

  The targeting of one mRNA in the transcriptome requires small molecules that bind with substantial affinity and specificity. As such, compounds with specificity for individual RNA secondary structural motifs could be useful for targeting RNA. Described herein is the synthesis of a combinatorial library of 105 dimers of deoxystreptamine and the subsequent identification of compounds with specificity for specific RNA hairpin loop sizes, including tetraloops and octaloops. Such compounds will be useful for the perturbation of RNA function in vivo.
• Isomeric N-(Nitrenophenyl)nitrenobenzamides. Comparison of the Energy Differences between Their Singlet and Quintet States Obtained Computationally and Experimentally
  作者：Andrew S. Ichimura、Kazunori Ochiai、Noboru Koga、Hiizu Iwamura

  DOI：10.1021/jo00087a007

  日期：1994.4

  The sign and magnitude of the intramolecular magnetic coupling between the two triplet nitrene units through the benzanilide chromophore have beep studied by temperature dependence of their EPR fine structures; The results that the interactions are ferromagnetic in the m,p' and m',p isomers and antiferromagnetic in the p,p' and m,m' isomers were corroborated by semiempirical CI calculations.