2-cyanomethyl-1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-cyanomethyl-1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thione
• 化学式: C₁₁H₇N₅S
• 分子量: 241.276
• InChiKey: HPYQPGUYVSNLHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  69.77
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-cyanomethyl-1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thione 、 碘甲烷 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.08h， 以72%的产率得到2-cyanomethyl-5-methylsulfanyl-1,2,4-triazolo[1,5-c]quinazoline
  参考文献：
  名称：

  Domino Cyclization of 2-Isothiocyanatobenzonitrile with Carboxylic Hydrazides − One-Pot Synthesis of 1,2,4-Triazolo[1,5-c]quinazoline-5(6H)-thiones

  摘要：

  One-pot reactions between carboxylic hydrazides and 2-isothiocyanatobenzonitrile afforded pharmacologically relevant 1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thiones in good yields. These compounds were transformed into the corresponding amino-substituted derivatives in good yields in one or two steps. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

  DOI：

  10.1002/1099-0690(200301)2003:1<182::aid-ejoc182>3.0.co;2-s
• 作为产物：
  描述：

  氰乙酰肼 、 2-氰基苯基异氰酸酯 以 乙醇 为溶剂， 反应 6.0h， 以80%的产率得到2-cyanomethyl-1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thione
  参考文献：
  名称：

  Domino Cyclization of 2-Isothiocyanatobenzonitrile with Carboxylic Hydrazides − One-Pot Synthesis of 1,2,4-Triazolo[1,5-c]quinazoline-5(6H)-thiones

  摘要：

  One-pot reactions between carboxylic hydrazides and 2-isothiocyanatobenzonitrile afforded pharmacologically relevant 1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thiones in good yields. These compounds were transformed into the corresponding amino-substituted derivatives in good yields in one or two steps. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

  DOI：

  10.1002/1099-0690(200301)2003:1<182::aid-ejoc182>3.0.co;2-s

文献信息

• Domino Cyclization of 2-Isothiocyanatobenzonitrile with Carboxylic Hydrazides − One-Pot Synthesis of 1,2,4-Triazolo[1,5-c]quinazoline-5(6H)-thiones
  作者：Janet Blank、Madeleine Kandt、Wolf-Diethard Pfeiffer、Annemarie Hetzheim、Peter Langer

  DOI：10.1002/1099-0690(200301)2003:1<182::aid-ejoc182>3.0.co;2-s

  日期：2003.1

  One-pot reactions between carboxylic hydrazides and 2-isothiocyanatobenzonitrile afforded pharmacologically relevant 1,2,4-triazolo[1,5-c]quinazoline-5(6H)-thiones in good yields. These compounds were transformed into the corresponding amino-substituted derivatives in good yields in one or two steps. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).