6-isopropyl-1,2,4,5-tetrazinane-3-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: 6-isopropyl-1,2,4,5-tetrazinane-3-thione
• 英文别名: 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione；6-propan-2-yl-1,2,4,5-tetrazinane-3-thione
• 化学式: C₅H₁₂N₄S
• 分子量: 160.243
• InChiKey: MDMLOVBYKCZLKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  80.2
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-isopropyl-1,2,4,5-tetrazinane-3-thione 、 丁炔二酸二乙酯 以 乙醇 为溶剂， 反应 12.0h， 以72%的产率得到ethyl 2-(3-isopropyl-6-oxo-3,4-dihydro-2H-thiazolo[3,2-b][1,2,4,5]tetrazin-7(6H)-ylidene)acetate
  参考文献：
  名称：

  Dual behavior of monothiocarbohydrazones in the cyclization with diethyl acetylene dicarboxylate (DEAD): synthesis of substituted 1,3-thiazolidin-4-ones

  摘要：

  Aliphatic aldehydes and cyclohexanone reacted with thiocarbohydrazide to give exclusively 6-substituted-1,2,4,5-tetrazinane-3-thiones, which readily underwent cyclization with diethyl acetylene dicarboxylate to afford condensed thiazolidinones. On the other hand, cyclopentanone and cycloheptanone reacted under a similar sequence of reaction conditions to give 3-amino thiazolidin-4-ones.[GRAPHICS].

  DOI：

  10.1080/17415993.2011.608799
• 作为产物：
  描述：

  硫代卡巴肼 、 2,4-二甲基-3-戊酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以88%的产率得到6-isopropyl-1,2,4,5-tetrazinane-3-thione
  参考文献：
  名称：

  Dual behavior of monothiocarbohydrazones in the cyclization with diethyl acetylene dicarboxylate (DEAD): synthesis of substituted 1,3-thiazolidin-4-ones

  摘要：

  Aliphatic aldehydes and cyclohexanone reacted with thiocarbohydrazide to give exclusively 6-substituted-1,2,4,5-tetrazinane-3-thiones, which readily underwent cyclization with diethyl acetylene dicarboxylate to afford condensed thiazolidinones. On the other hand, cyclopentanone and cycloheptanone reacted under a similar sequence of reaction conditions to give 3-amino thiazolidin-4-ones.[GRAPHICS].

  DOI：

  10.1080/17415993.2011.608799

文献信息

• Alekseev, V. V.; Zelenin, K. N.; Terent'ev, P. B., Russian Journal of Organic Chemistry, 1993, vol. 29, # 3.2, p. 491 - 501
  作者：Alekseev, V. V.、Zelenin, K. N.、Terent'ev, P. B.、Lashin, V. V.、Khorseeva, L. A.、Bulakhov, G. A.

  DOI：——

  日期：——
• Dual behavior of monothiocarbohydrazones in the cyclization with diethyl acetylene dicarboxylate (DEAD): synthesis of substituted 1,3-thiazolidin-4-ones
  作者：Hasan I. Tashtoush、Fatima Abusahyon、Mohanad Shkoor、Mahmoud Al-Talib

  DOI：10.1080/17415993.2011.608799

  日期：2011.10.1

  Aliphatic aldehydes and cyclohexanone reacted with thiocarbohydrazide to give exclusively 6-substituted-1,2,4,5-tetrazinane-3-thiones, which readily underwent cyclization with diethyl acetylene dicarboxylate to afford condensed thiazolidinones. On the other hand, cyclopentanone and cycloheptanone reacted under a similar sequence of reaction conditions to give 3-amino thiazolidin-4-ones.[GRAPHICS].