2-methyl-6,7-tetramethylene-5H-thiazolo[3,2-a]pyrimidin-5-one | 1059604-37-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-methyl-6,7-tetramethylene-5H-thiazolo[3,2-a]pyrimidin-5-one
• 英文别名: 2-Methyl-6,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one；2-methyl-6,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
• CAS: 1059604-37-3
• 化学式: C₁₁H₁₂N₂OS
• 分子量: 220.295
• InChiKey: KCXGLFOOHZIELT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(iodomethyl)-6,7-tetramethylene-2,3-dihydrothiazolo[3,2-a]pyrimidin-5-one 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-methyl-6,7-tetramethylene-5H-thiazolo[3,2-a]pyrimidin-5-one
  参考文献：
  名称：

  Synthesis of New Thiazolo[3,2-a]pyrimidin-5-one Derivatives in Reaction of 3-Allyl-2-thiouracils Cyclization

  摘要：

  The series of thiazolo[3,2-a]pyrimidin-5-one derivatives in cyclization reaction of 3-allyl-2-thiouracil derivatives with iodine monochloride, and then hydrogen iodide elimination from intermediate reaction product has been obtained. On the basis of the studies of reaction kinetics, the elimination reaction mechanism has been proposed. Moreover, the influence of substituent on the reaction elimination rate has been investigated.

  DOI：

  10.3987/com-08-11365

文献信息

• Synthesis of New Thiazolo[3,2-a]pyrimidin-5-one Derivatives in Reaction of 3-Allyl-2-thiouracils Cyclization
  作者：Renata Studzinska、Marcin Wr傭lewski、Marcin Draminski

  DOI：10.3987/com-08-11365

  日期：——

  The series of thiazolo[3,2-a]pyrimidin-5-one derivatives in cyclization reaction of 3-allyl-2-thiouracil derivatives with iodine monochloride, and then hydrogen iodide elimination from intermediate reaction product has been obtained. On the basis of the studies of reaction kinetics, the elimination reaction mechanism has been proposed. Moreover, the influence of substituent on the reaction elimination rate has been investigated.