1-phenyl-4-phthalazinecarbonitrile | 10132-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-phenyl-4-phthalazinecarbonitrile
• 英文别名: 4-phenyl-phthalazine-1-carbonitrile；4-Phenyl-1-phthalazinecarbonitril；4-Phenyl-1-phthalazincarbonitril；4-Phenylphthalazine-1-carbonitrile
• CAS: 10132-02-2
• 化学式: C₁₅H₉N₃
• 分子量: 231.257
• InChiKey: QXPKRILVRQXPCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-benzoylamino-4-phenyl-phthalazinium betaine 以75%的产率得到
  参考文献：
  名称：

  TAMURA Y.; MIKI Y.; NAKAMURA K.; IKEDA M., J. HETEROCYCL. CHEM. , 1976, 13, NO 1, 23-28

  摘要：

  DOI：

文献信息

• Preparation of Heteroarenecarbonitriles by Reaction of Haloheteroarenes with Potassium Cyanide Catalyzed by Sodium p-Toluenesulfinate
  作者：Akira Miyashita、Yumiko Suzuki、Kiyono Ohta、Takeo Higashino

  DOI：10.3987/com-94-s(b)38

  日期：——

  Several heteroarenecarbonitriles were prepared by reaction of haloheteroarenes with potassium cyanide catalyzed by sodium p-toluenesulfinate (1) or sodium methanesulfinate (2). In the reaction pathway, the cyanation proceeds through the formation of the sulfonylheteroarenes.
• Preparation of Heteroarenecarbonitriles by Reaction of Heteroarene N-Oxides with Trimethylsilyl Cyanide in the Presence of DBU
  作者：Akira Miyashita、Touru Kawashima、Chihoko Iijima、Takeo Higashino

  DOI：10.3987/com-91-s12

  日期：——

  Several heteroarenecarbonitriles were prepared from the corresponding heteroarene N-oxides by treatment with trimethylsilyl cyanide (TMSCN) in the presence of a base in tetrahydrofuran (THF). 1,8-Diazabicyclo[5.4.0]-7-undecene (DBU) was found to be an effective base for the cyanation.
• TAMURA Y.; MIKI Y.; NAKAMURA K.; IKEDA M., J. HETEROCYCL. CHEM. <JHTC-AD>, 1976, 13, NO 1, 23-28
  作者：TAMURA Y.、 MIKI Y.、 NAKAMURA K.、 IKEDA M.

  DOI：——

  日期：——

表征谱图