2-(chloromethylthio)-4-(pyridin-2-yl)pyrimidine | 1231156-71-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(chloromethylthio)-4-(pyridin-2-yl)pyrimidine
• 英文别名: 2-(Chloromethylsulfanyl)-4-pyridin-2-ylpyrimidine；2-(chloromethylsulfanyl)-4-pyridin-2-ylpyrimidine
• CAS: 1231156-71-0
• 化学式: C₁₀H₈ClN₃S
• 分子量: 237.713
• InChiKey: RXDKBVMNEUBVBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二氯甲烷 、 di[4-(pyridin-2-yl)pyrimidinyl]disulfide 以 甲醇 为溶剂， 反应 72.0h， 以75.3%的产率得到2-(chloromethylthio)-4-(pyridin-2-yl)pyrimidine
  参考文献：
  名称：

  Diverse reactions of S–S function under metal-mediated and metal-free thermolysis conditions

  摘要：

  Parallel comparative studies on reactivities of S-S function in 2-ppds (2-ppds = bis(4-(pyridin-2-yl)pyrimidin-2-yl)disulfane) have been carried out under the same thermolysis conditions. In the presence of FeCl(2), thermolysis reaction of 2-ppds in the MeOH/CH(2)Cl(2) mixture results in a mononuclear compound [FeCl(2)(2-pps)] with newly generated organic ligand 2-pps (2-pps = bis(4-(pyridin-2-yl)pyrimidin-2-yl)sulfane). In the absence of FeCl(2), the result of solvolysis depends upon the conditions. Thus, in pure MeOH, 2-ppds partially converts into a mixture of S-(4-pyridin-2-yl)pyrimidin-2-yl (4-pyridin-2-yl)pyrimidine-2-sulfonothioate (2-ppst) and 2-pps, while in a MeOH/CH(2)Cl(2) mixture, 2-(chloromethylthio)-4-(pyridin-2-yl)pyrimidine (2-ppct) is the main product. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.10.009

文献信息

• Diverse reactions of S–S function under metal-mediated and metal-free thermolysis conditions
  作者：Hai-Bin Zhu、Lei Li、Hai Wang、Xin Lu、Shao-Hua Gou

  DOI：10.1016/j.inoche.2009.10.009

  日期：2010.1

  Parallel comparative studies on reactivities of S-S function in 2-ppds (2-ppds = bis(4-(pyridin-2-yl)pyrimidin-2-yl)disulfane) have been carried out under the same thermolysis conditions. In the presence of FeCl(2), thermolysis reaction of 2-ppds in the MeOH/CH(2)Cl(2) mixture results in a mononuclear compound [FeCl(2)(2-pps)] with newly generated organic ligand 2-pps (2-pps = bis(4-(pyridin-2-yl)pyrimidin-2-yl)sulfane). In the absence of FeCl(2), the result of solvolysis depends upon the conditions. Thus, in pure MeOH, 2-ppds partially converts into a mixture of S-(4-pyridin-2-yl)pyrimidin-2-yl (4-pyridin-2-yl)pyrimidine-2-sulfonothioate (2-ppst) and 2-pps, while in a MeOH/CH(2)Cl(2) mixture, 2-(chloromethylthio)-4-(pyridin-2-yl)pyrimidine (2-ppct) is the main product. (C) 2009 Elsevier B.V. All rights reserved.