6-Chloro-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine | 1421698-84-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-Chloro-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
• 英文别名: 6-chloro-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine
• CAS: 1421698-84-1
• 化学式: C₈H₁₀ClN₃S
• 分子量: 215.706
• InChiKey: IPKLTSXQPZEWSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Chloro-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-amine 在 sodium hexamethyldisilazane 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-(5-allyl-6-chloro-2-(methylthio)pyrimidin-4-yl)-N-methylacrylamide
  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：

  5-allyl-4,6-dichloro-2-(methylthio)pyrimidine 在 氨 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以1.07 g的产率得到6-Chloro-2-methylsulfanyl-5-prop-2-enylpyrimidin-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

• US4199583A
  申请人：——

  公开号：US4199583A

  公开（公告）日：1980-04-22
• 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.