3-ethyl-4-imino-5-(phenylsulfonyl)-3,4-dihydropyrimidine-2(1H)-thione | 1137899-07-0

• 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: 3-ethyl-4-imino-5-(phenylsulfonyl)-3,4-dihydropyrimidine-2(1H)-thione
• CAS: 1137899-07-0
• 化学式: C₁₂H₁₃N₃O₂S₂
• 分子量: 295.386
• InChiKey: APPRFBLDFJYJFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.71
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-ethyl-4-imino-5-(phenylsulfonyl)-3,4-dihydropyrimidine-2(1H)-thione 在 盐酸 作用下， 以 水 为溶剂， 以79%的产率得到3-ethyl-5-(phenylsulfonyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  参考文献：
  名称：

  A convenient synthetic approach to derivatives of 5-phenylsulfonyl-2-thiouracil and its condensed analogs

  摘要：

  3-Amino-2-phenylsulfonylacrylonitrile, an available multicenter rea(yent when treated successively C I with phenyl, ethyl, or allyl isothiocyanate and hydrochloric acid forms N 3 -substituted 5-phenylsulfonylthiouracils. Some of them were found to be suitable starting mateials for preparing of thiazoline and thiodiazolidine structures fused with the 4-pyrimidone system.

  DOI：

  10.1134/s1070363208060194
• 作为产物：
  描述：

  异硫氰酸乙酯 、 3-amino-2-phenylsulfonylacrylonitrile 在 三乙胺 作用下， 以60%的产率得到3-ethyl-4-imino-5-(phenylsulfonyl)-3,4-dihydropyrimidine-2(1H)-thione
  参考文献：
  名称：

  A convenient synthetic approach to derivatives of 5-phenylsulfonyl-2-thiouracil and its condensed analogs

  摘要：

  3-Amino-2-phenylsulfonylacrylonitrile, an available multicenter rea(yent when treated successively C I with phenyl, ethyl, or allyl isothiocyanate and hydrochloric acid forms N 3 -substituted 5-phenylsulfonylthiouracils. Some of them were found to be suitable starting mateials for preparing of thiazoline and thiodiazolidine structures fused with the 4-pyrimidone system.

  DOI：

  10.1134/s1070363208060194