8-chloro-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]benzothiazin-6-one | 1415417-56-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 8-chloro-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]benzothiazin-6-one
• 英文别名: 8-chloro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazin-6-one
• CAS: 1415417-56-9
• 化学式: C₁₁H₉ClN₂OS
• 分子量: 252.724
• InChiKey: GVOHFINAFCEEJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4,5,6-四氢-2-嘧啶硫醇 、 5-氯-2-碘-苯甲酸甲酯 在 copper(l) iodide 、 1,10-菲罗啉 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以73%的产率得到8-chloro-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]benzothiazin-6-one
  参考文献：
  名称：

  Cascade syntheses of aza[2,1-b][1,3]-benzothiazinone heteropolycyclic compounds from cyclic thiourea catalyzed by Cu(I)

  摘要：

  An efficient cascade method has been developed for the synthesis of aza[2,1-b][1,3]-benzothiazinones from cyclic thiourea and methyl 2-iodobenzoate via the Cu(I)-catalyzed C-S coupling/amidation process. A number of aza[2,1-b][1,3]-benzothiazinones containing five, six, seven membered rings and different substituents were obtained in good yield. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2012.10.088

文献信息

• Cascade syntheses of aza[2,1-b][1,3]-benzothiazinone heteropolycyclic compounds from cyclic thiourea catalyzed by Cu(I)
  作者：Dingben Chen、Jiashou Wu、Jianguo Yang、Ling Huang、Yubo Xiang、Weiliang Bao

  DOI：10.1016/j.tetlet.2012.10.088

  日期：2012.12

  An efficient cascade method has been developed for the synthesis of aza[2,1-b][1,3]-benzothiazinones from cyclic thiourea and methyl 2-iodobenzoate via the Cu(I)-catalyzed C-S coupling/amidation process. A number of aza[2,1-b][1,3]-benzothiazinones containing five, six, seven membered rings and different substituents were obtained in good yield. (C) 2012 Published by Elsevier Ltd.