6-isopropyl-8-methyl-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(3H)-one | 750643-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 6-isopropyl-8-methyl-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(3H)-one
• 英文别名: 8-methyl-6-propan-2-yl-2-sulfanylidene-1H-imidazo[1,5-a][1,3,5]triazin-4-one
• CAS: 750643-43-7
• 化学式: C₉H₁₂N₄OS
• 分子量: 224.286
• InChiKey: ZQPBAILCSKQELZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-isopropyl-8-methyl-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(3H)-one 在 ammonium hydroxide 、 镍 作用下， 反应 0.08h， 以73%的产率得到6-isopropyl-8-methylimidazo[1,5-a]-1,3,5-triazin-4(3H)-one
  参考文献：
  名称：

  An Efficient Route to Novel 4,5‐Di‐ and 2,4,5‐Tri Substituted Imidazoles from Imidazo[1,5‐a]‐1,3,5‐triazine (5,8‐Diaza‐7,9‐dideazapurine) Derivatives

  摘要：

  Two new types of imidazole derivatives: N-(2-R-1-5-R-2-1H-imidazol-4-yl) thioureas 7a-g and N-(2-R-1-5-R-2-1H-imidazol-4-yl) formamides 8b,c,g were obtained in high yields by the hydrolytic degradation of 6-R-1-8-R-2-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(1H)-ones 5a-g and 6-R-1-8-R-2-imidazo[l,5-a]-1,3,5-triazin-4(3H)-ones 6b,c,d, respectively. The tautomeric preferences of the new imidazoles were determined.

  DOI：

  10.1081/ncn-120027822
• 作为产物：
  描述：

  6-imino-5-isobutyrylamino-5-methyl-2-thioxo-1,2,5,6-tetrahydropyrimidin-4(3H)-one 在 吡啶 、 三甲基氯硅烷 、 六甲基二硅氮烷 作用下， 反应 20.5h， 以75%的产率得到6-isopropyl-8-methyl-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(3H)-one
  参考文献：
  名称：

  An Efficient Route to Novel 4,5‐Di‐ and 2,4,5‐Tri Substituted Imidazoles from Imidazo[1,5‐a]‐1,3,5‐triazine (5,8‐Diaza‐7,9‐dideazapurine) Derivatives

  摘要：

  Two new types of imidazole derivatives: N-(2-R-1-5-R-2-1H-imidazol-4-yl) thioureas 7a-g and N-(2-R-1-5-R-2-1H-imidazol-4-yl) formamides 8b,c,g were obtained in high yields by the hydrolytic degradation of 6-R-1-8-R-2-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(1H)-ones 5a-g and 6-R-1-8-R-2-imidazo[l,5-a]-1,3,5-triazin-4(3H)-ones 6b,c,d, respectively. The tautomeric preferences of the new imidazoles were determined.

  DOI：

  10.1081/ncn-120027822

文献信息

• An Efficient Route to Novel 4,5‐Di‐ and 2,4,5‐Tri Substituted Imidazoles from Imidazo[1,5‐<i>a</i>]‐1,3,5‐triazine (5,8‐Diaza‐7,9‐dideazapurine) Derivatives
  作者：Bozenna Golankiewicz、Piotr Januszczyk、Joanna Zeidler、Mariusz Popenda

  DOI：10.1081/ncn-120027822

  日期：2004.1.1

  Two new types of imidazole derivatives: N-(2-R-1-5-R-2-1H-imidazol-4-yl) thioureas 7a-g and N-(2-R-1-5-R-2-1H-imidazol-4-yl) formamides 8b,c,g were obtained in high yields by the hydrolytic degradation of 6-R-1-8-R-2-2-thioxo-2,3-dihydroimidazo[1,5-a]-1,3,5-triazin-4(1H)-ones 5a-g and 6-R-1-8-R-2-imidazo[l,5-a]-1,3,5-triazin-4(3H)-ones 6b,c,d, respectively. The tautomeric preferences of the new imidazoles were determined.