N-(2-Amino-5-cyano-4-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-4-methyl-benzenesulfonamide | 886588-45-0

• 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: N-(2-Amino-5-cyano-4-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-4-methyl-benzenesulfonamide
• 英文别名: N-(2-amino-5-cyano-4-methylsulfanyl-6-oxopyrimidin-1-yl)-4-methylbenzenesulfonamide
• CAS: 886588-45-0
• 化学式: C₁₃H₁₃N₅O₃S₂
• 分子量: 351.41
• InChiKey: JMYNPFGSYWSKJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  162
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(2-Amino-5-cyano-4-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-4-methyl-benzenesulfonamide 在 哌啶 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以82%的产率得到2,5-diamino-(3)N-(4-methylbenzenesulfonamido)-7H-pyrazolo[3,4-d] pyrimidin-4(3H)-one
  参考文献：
  名称：

  First Synthesis of N‐Substituted Amino and N‐Sulfonylaminated Methylthiopyrimidines: Reaction of Dimethyl N‐Cyanodithioiminocarbonate With Substituted Hydrazides

  摘要：

  A novel and efficient method for the synthesis of a new variety of methylsulfanylpyrimidines by the reaction of dimethyl N-cyanodithioiminocarbonate with substituted hydrazides. The synthetic potential of the method is demonstrated.

  DOI：

  10.1080/00397910500449427
• 作为产物：
  描述：

  2,(3)N-diamino-3,4-dihydro-6-methylsulfanyl-4-oxopyrimidine-5-carbonitrile 、 对甲苯磺酰氯 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 N-(2-Amino-5-cyano-4-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-4-methyl-benzenesulfonamide
  参考文献：
  名称：

  First Synthesis of N‐Substituted Amino and N‐Sulfonylaminated Methylthiopyrimidines: Reaction of Dimethyl N‐Cyanodithioiminocarbonate With Substituted Hydrazides

  摘要：

  A novel and efficient method for the synthesis of a new variety of methylsulfanylpyrimidines by the reaction of dimethyl N-cyanodithioiminocarbonate with substituted hydrazides. The synthetic potential of the method is demonstrated.

  DOI：

  10.1080/00397910500449427

文献信息

• First Synthesis of <i>N</i>‐Substituted Amino and <i>N</i>‐Sulfonylaminated Methylthiopyrimidines: Reaction of Dimethyl <i>N</i>‐Cyanodithioiminocarbonate With Substituted Hydrazides
  作者：Galal H. Elgemeie、Soha A. Sood

  DOI：10.1080/00397910500449427

  日期：2006.4.1

  A novel and efficient method for the synthesis of a new variety of methylsulfanylpyrimidines by the reaction of dimethyl N-cyanodithioiminocarbonate with substituted hydrazides. The synthetic potential of the method is demonstrated.