8-Isopropyl-6-methyl-2-thioxo-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one | 114477-70-2

• 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: 8-Isopropyl-6-methyl-2-thioxo-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one
• 英文别名: 8-isopropyl-6-methyl-2-sulfanyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one；6-methyl-8-propan-2-yl-2-sulfanylidene-1H-imidazo[1,5-a][1,3,5]triazin-4-one
• CAS: 114477-70-2
• 化学式: C₉H₁₂N₄OS
• 分子量: 224.286
• InChiKey: FKAQHUIJNVIVDP-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：

  8-Isopropyl-6-methyl-2-thioxo-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one 在 水 作用下， 反应 4.0h， 以94%的产率得到N-(5-isopropyl-2-methyl-1H-imidazol-4-yl)thiourea
  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：

  N-(4-Imino-5-isopropyl-6-oxo-2-thioxo-hexahydro-pyrimidin-5-yl)-acetamide 生成 8-Isopropyl-6-methyl-2-thioxo-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one
  参考文献：
  名称：

  GOLANKIEWICZ, BOZENNA;ZEIDLER, JOANNA;DE, CLERCQ ERIK, NUCLEOSIDES AND NUCLEOTIDES, 6,(1987) N 4, 663-678

  摘要：

  DOI：

文献信息

• Golankiewicz, Bozenna; Zeidler, Joanna; Popenda, Mariusz, Journal of the Chemical Society. Perkin transactions II, 1990, # 6, p. 1001 - 1004
  作者：Golankiewicz, Bozenna、Zeidler, Joanna、Popenda, Mariusz

  DOI：——

  日期：——
• GOLANKIEWICZ, BOZENNA;ZEIDLER, JOANNA;DE, CLERCQ ERIK, NUCLEOSIDES AND NUCLEOTIDES, 6,(1987) N 4, 663-678
  作者：GOLANKIEWICZ, BOZENNA、ZEIDLER, JOANNA、DE, CLERCQ ERIK

  DOI：——

  日期：——
• 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.