| 1419176-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1419176-20-7
• 化学式: CF₃O₃S*C₁₀H₁₁N₂O
• 分子量: 324.281
• InChiKey: FXZIAILYBWRJRP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.08
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 selenium 、 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 1,3-Dimethyl-2-selanylidenequinazolin-4-one
  参考文献：
  名称：

  A New Mixed Amino–Amido N-Heterocyclic Carbene Based on Anthranilic Acid

  摘要：

  The synthesis of a new mixed amino-amido N-heterocyclic carbene (type A) starting from anthranilic acid is presented. A new straightforward synthetic approach to related diaminocarbenes of type B is also described. Both NHCs react with group 6 elements to form heteroureas and coordinate to L2CIM fragments (M = Rh, Ir; L-2 = COD, (CO)(2)). IR spectroscopic analysis of the carbonyl complexes reveals that the diamino-NHC is a better donor ligand (TEP: 2054 cm(-1)) compared to the amino-amido NHC (TEP: 2060 cm(-1)). In line with this behavior, a carbene dimerization to give the corresponding olefin is observed only for derivatives of type A. X-ray structure determinations are reported for two Rh complexes of ligand A and its cationic precursor.

  DOI：

  10.1021/om301152n
• 作为产物：
  描述：

  邻氨基苯甲酸 在 potassium hydroxide 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 7.25h， 生成
  参考文献：
  名称：

  A New Mixed Amino–Amido N-Heterocyclic Carbene Based on Anthranilic Acid

  摘要：

  The synthesis of a new mixed amino-amido N-heterocyclic carbene (type A) starting from anthranilic acid is presented. A new straightforward synthetic approach to related diaminocarbenes of type B is also described. Both NHCs react with group 6 elements to form heteroureas and coordinate to L2CIM fragments (M = Rh, Ir; L-2 = COD, (CO)(2)). IR spectroscopic analysis of the carbonyl complexes reveals that the diamino-NHC is a better donor ligand (TEP: 2054 cm(-1)) compared to the amino-amido NHC (TEP: 2060 cm(-1)). In line with this behavior, a carbene dimerization to give the corresponding olefin is observed only for derivatives of type A. X-ray structure determinations are reported for two Rh complexes of ligand A and its cationic precursor.

  DOI：

  10.1021/om301152n