2-methyl-6-phenylsulfonyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one hydrochloride | 1137899-20-7

• 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: 2-methyl-6-phenylsulfonyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one hydrochloride
• 英文别名: 2-Methyl-5-oxo-6-phenylsulfonyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidinium chloride；6-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one;chloride
• CAS: 1137899-20-7
• 化学式: C₁₃H₁₂N₂O₃S₂*ClH
• 分子量: 344.843
• InChiKey: WWBVDQSABZZRPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(phenylsulfonyl)-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 在 盐酸 作用下， 以 乙醇 为溶剂， 以63%的产率得到2-methyl-6-phenylsulfonyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one hydrochloride
  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

文献信息

• A convenient synthetic approach to derivatives of 5-phenylsulfonyl-2-thiouracil and its condensed analogs
  作者：S. V. Slivchuk、V. S. Brovarets、B. S. Drach

  DOI：10.1134/s1070363208060194

  日期：2008.6

  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.