2-氨基-4,6-嘧啶二甲腈 | 64376-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-氨基-4,6-嘧啶二甲腈
• 英文名称: 2-aminopyrimidine-4,6-dicarbonitrile
• 英文别名: 2-Amino-4,6-dicyanopyrimidine
• CAS: 64376-15-4
• 化学式: C₆H₃N₅
• mdl: MFCD16657213
• 分子量: 145.123
• InChiKey: MSASUKGLCUZDAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.4
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-氨基-4,6-嘧啶二甲腈 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以23%的产率得到2-氨基-4-氰基嘧啶
  参考文献：
  名称：

  Efficient Synthesis of Pyrimidinecarbonitriles and Their Derivatives

  摘要：

  New approach to pyrimidinecarbonitriles was developed. Pyrimidine-4- and 6-carbonitriles were prepared by palladium-catalyzed cross-coupling reaction of iodopyrimidines with Zn(CN)2 in very good yields. The cyano group was converted into the corresponding acyl groups by the treatment with Grignard reagents and transformed to amido and imido function as well.

  DOI：

  10.3987/com-07-11014
• 作为产物：
  描述：

  2-氨基-4,6-二氯嘧啶 、 氰化锌 在 四(三苯基膦)钯 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以7%的产率得到2-氨基-4,6-嘧啶二甲腈
  参考文献：
  名称：

  Efficient Synthesis of Pyrimidinecarbonitriles and Their Derivatives

  摘要：

  New approach to pyrimidinecarbonitriles was developed. Pyrimidine-4- and 6-carbonitriles were prepared by palladium-catalyzed cross-coupling reaction of iodopyrimidines with Zn(CN)2 in very good yields. The cyano group was converted into the corresponding acyl groups by the treatment with Grignard reagents and transformed to amido and imido function as well.

  DOI：

  10.3987/com-07-11014

文献信息

• SHKURKO O. P.; MAMAEV V. P., XIMIYA GETEROTSIKL. SOEDIN. <GSS-AG>, 1977, NO 6, 821-824
  作者：SHKURKO O. P.、 MAMAEV V. P.

  DOI：——

  日期：——
• Efficient Synthesis of Pyrimidinecarbonitriles and Their Derivatives
  作者：Petra Doláková、Milena Masojídková、Antonín Holy

  DOI：10.3987/com-07-11014

  日期：——

  New approach to pyrimidinecarbonitriles was developed. Pyrimidine-4- and 6-carbonitriles were prepared by palladium-catalyzed cross-coupling reaction of iodopyrimidines with Zn(CN)2 in very good yields. The cyano group was converted into the corresponding acyl groups by the treatment with Grignard reagents and transformed to amido and imido function as well.