N-5-diallyl-6-chloro-N-methyl-2-(methylthio)pyrimidin-4-amine | 1421698-47-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-5-diallyl-6-chloro-N-methyl-2-(methylthio)pyrimidin-4-amine
• 英文别名: 6-chloro-N-methyl-2-methylsulfanyl-N,5-bis(prop-2-enyl)pyrimidin-4-amine
• CAS: 1421698-47-6
• 化学式: C₁₂H₁₆ClN₃S
• 分子量: 269.798
• InChiKey: ACUJTXRWMFARGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-5-diallyl-6-chloro-N-methyl-2-(methylthio)pyrimidin-4-amine 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以89%的产率得到4-Chloro-9-methyl-2-methylsulfanyl-5,8-dihydropyrimido[4,5-b]azepine
  参考文献：
  名称：

  A ring-closing metathesis approach to heterocycle-fused azepines

  摘要：

  Heterocycle-fused azepines, an important class of molecular scaffold, are readily synthesised through the ruthenium-catalysed ring-closing metathesis reaction. Although benzo-fused azepines are well documented, heterocycle-fused examples are poorly developed. Herein, a range of five- and six-membered heterocycle-fused azepines are investigated, allowing access to a series of pharmaceutically interesting products. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.042
• 作为产物：
  描述：

  4,6-二氯-二甲硫基嘧啶 在 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 5.0h， 生成 N-5-diallyl-6-chloro-N-methyl-2-(methylthio)pyrimidin-4-amine
  参考文献：
  名称：

  A ring-closing metathesis approach to heterocycle-fused azepines

  摘要：

  Heterocycle-fused azepines, an important class of molecular scaffold, are readily synthesised through the ruthenium-catalysed ring-closing metathesis reaction. Although benzo-fused azepines are well documented, heterocycle-fused examples are poorly developed. Herein, a range of five- and six-membered heterocycle-fused azepines are investigated, allowing access to a series of pharmaceutically interesting products. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.042

文献信息

• A ring-closing metathesis approach to heterocycle-fused azepines
  作者：Thomas A. Moss

  DOI：10.1016/j.tetlet.2012.12.042

  日期：2013.2

  Heterocycle-fused azepines, an important class of molecular scaffold, are readily synthesised through the ruthenium-catalysed ring-closing metathesis reaction. Although benzo-fused azepines are well documented, heterocycle-fused examples are poorly developed. Herein, a range of five- and six-membered heterocycle-fused azepines are investigated, allowing access to a series of pharmaceutically interesting products. (C) 2012 Elsevier Ltd. All rights reserved.