methyl 3-tert-butyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate | 1233537-10-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: methyl 3-tert-butyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
• 英文别名: Methyl 3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS: 1233537-10-4
• 化学式: C₁₂H₁₄N₂O₃S
• 分子量: 266.321
• InChiKey: OCARQJJTPGWRCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  84.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-tert-butyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 在 lithium iodide 作用下， 以 吡啶 为溶剂， 反应 24.0h， 以93%的产率得到3-tert-butyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
  参考文献：
  名称：

  An efficient synthesis of thiazolo[3,2-a]pyrimidinones

  摘要：

  A series of thiazolo[3,2-a]pyrimidinones was synthesised in a two-step procedure, using Eaton's reagent to effect cyclisation of 2-aminothiazoles. The use of relatively low temperatures, facile product isolation and short reaction times make this cyclisation procedure a particularly attractive option over more conventional methods. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.052
• 作为产物：
  描述：

  dimethyl 2-[(4-tert-butylthiazol-2-ylamino)methylene]malonate 在 Eaton's reagent 作用下， 反应 1.5h， 以100%的产率得到methyl 3-tert-butyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
  参考文献：
  名称：

  An efficient synthesis of thiazolo[3,2-a]pyrimidinones

  摘要：

  A series of thiazolo[3,2-a]pyrimidinones was synthesised in a two-step procedure, using Eaton's reagent to effect cyclisation of 2-aminothiazoles. The use of relatively low temperatures, facile product isolation and short reaction times make this cyclisation procedure a particularly attractive option over more conventional methods. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.052

文献信息

• An efficient synthesis of thiazolo[3,2-a]pyrimidinones
  作者：Nadia M. Ahmad、Keith Jones

  DOI：10.1016/j.tetlet.2010.04.052

  日期：2010.6

  A series of thiazolo[3,2-a]pyrimidinones was synthesised in a two-step procedure, using Eaton's reagent to effect cyclisation of 2-aminothiazoles. The use of relatively low temperatures, facile product isolation and short reaction times make this cyclisation procedure a particularly attractive option over more conventional methods. (C) 2010 Elsevier Ltd. All rights reserved.