2,3-dihydro-6-methyl-5H-oxazolo[2,3-a]pyrimidin-5-one | 350228-42-1

• 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: 2,3-dihydro-6-methyl-5H-oxazolo[2,3-a]pyrimidin-5-one
• 英文别名: 6-Methyl-2H-oxazolo[3,2-a]pyrimidin-5(3H)-one；6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one
• CAS: 350228-42-1
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: SNYRCFGELRWHAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-dihydro-6-methyl-5H-oxazolo[2,3-a]pyrimidin-5-one 在 palladium on activated charcoal 叠氮基三甲基硅烷 、 四丁基氟化铵 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-3-(2-aminoethyl)thymine
  参考文献：
  名称：

  Alkylation of thymine with 1,2-dibromoethane

  摘要：

  Alkylation of thymine with 1,2-dibromoethane depends strongly on the reaction conditions. Various alkyl derivatives may be produced, including N-1- or N-5-monosubstituted alkylthymines and products of their cyclisation, as well higher molecular weight products resulting from intermolecular substitution of N-1- and N-3-mono- and N-1,N-3-dialkylthymines. We have identified two cyclic products 5 and 6 and the dialkylated derivative 7, for which detailed structural analyses have been performed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00277-0
• 作为产物：
  描述：

  1,2-二溴乙烷 、 胸腺嘧啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以10%的产率得到2,3-dihydro-6-methyl-5H-oxazolo[2,3-a]pyrimidin-5-one
  参考文献：
  名称：

  Alkylation of thymine with 1,2-dibromoethane

  摘要：

  Alkylation of thymine with 1,2-dibromoethane depends strongly on the reaction conditions. Various alkyl derivatives may be produced, including N-1- or N-5-monosubstituted alkylthymines and products of their cyclisation, as well higher molecular weight products resulting from intermolecular substitution of N-1- and N-3-mono- and N-1,N-3-dialkylthymines. We have identified two cyclic products 5 and 6 and the dialkylated derivative 7, for which detailed structural analyses have been performed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00277-0

文献信息

• Alkylation of thymine with 1,2-dibromoethane
  作者：B Nawrot、O Michalak、S Olejniczak、M.W Wieczorek、T Lis、W.J Stec

  DOI：10.1016/s0040-4020(01)00277-0

  日期：2001.4

  Alkylation of thymine with 1,2-dibromoethane depends strongly on the reaction conditions. Various alkyl derivatives may be produced, including N-1- or N-5-monosubstituted alkylthymines and products of their cyclisation, as well higher molecular weight products resulting from intermolecular substitution of N-1- and N-3-mono- and N-1,N-3-dialkylthymines. We have identified two cyclic products 5 and 6 and the dialkylated derivative 7, for which detailed structural analyses have been performed. (C) 2001 Elsevier Science Ltd. All rights reserved.

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