1,2,4,5-tetraazaspiro<5.6>dodecane-3-thione | 106659-18-1

• 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: 1,2,4,5-tetraazaspiro<5.6>dodecane-3-thione
• 英文别名: 1,2,4,5-Tetraazaspiro[5.6]dodecane-3-thione；1,2,4,5-tetrazaspiro[5.6]dodecane-3-thione
• CAS: 106659-18-1
• 化学式: C₈H₁₆N₄S
• 分子量: 200.308
• InChiKey: RLPGGILRHMAUMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  155 °C(Solv: ethanol (64-17-5))
• 沸点：
  294.1±23.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  1,2,4,5-tetraazaspiro<5.6>dodecane-3-thione 在 哌啶 、 sodium acetate 、 溶剂黄146 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 14.0h， 生成 5-[[7-benzylidene-4-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-6-oxospiro[[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cycloheptane]-2-yl]methyl]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
  参考文献：
  名称：

  Pati, Anita; Sahu, Shankarshan; Patra, Manabendra, Journal of the Indian Chemical Society, 2012, vol. 89, # 5, p. 637 - 645

  摘要：

  DOI：
• 作为产物：
  描述：

  硫代卡巴肼 、 环庚酮 以 乙醇 、 水 为溶剂， 反应 0.01h， 以95%的产率得到1,2,4,5-tetraazaspiro<5.6>dodecane-3-thione
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Spiro(cycloalkane thiazolo-s-tetrazine)

  摘要：

  Microwave irradiation of cyclic ketones with thiocarbohydrazide furnish the corresponding s-tetrazine derivatives 1a-d, which upon irradiation with chloroacetic acid and sodium acetate in acetic acid, give the corresponding thiazolidinone derivatives 2a-d. These derivatives 2a-d upon condensation with benzaldehyde afford the benzylidine derivatives 3a-d. The s-tetrazine derivatives 1a-d and 1,2dibromoethane upon irradiation gives the thiazolo-s-tetrazine derivatives 4a-d. The structures of 1-4 were established by IR, H-1 NMR, and C-13 NMR data.

  DOI：

  10.1080/10426500802590038

文献信息

• 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].
• Bindal, Varinder; Pujari, H. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 1227 - 1229
  作者：Bindal, Varinder、Pujari, H. K.

  DOI：——

  日期：——
• Mohan, Jag; Anjaneyulu, G S R; Verma, Pratima, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 6, p. 624 - 627
  作者：Mohan, Jag、Anjaneyulu, G S R、Verma, Pratima

  DOI：——

  日期：——
• Mohan, Jag; Anjaneyulu, G. S. R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 473 - 475
  作者：Mohan, Jag、Anjaneyulu, G. S. R.

  DOI：——

  日期：——
• Mohan, Jag; Anupama; Kumar, Ashok, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 2, p. 400 - 402
  作者：Mohan, Jag、Anupama、Kumar, Ashok、Khatter, Diksha

  DOI：——

  日期：——