6,7,9,10-tetraaza-spiro[4.5]decane-8-thione | 18801-60-0

• 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: 6,7,9,10-tetraaza-spiro[4.5]decane-8-thione
• 英文别名: Perhydro-3-thioxo-1,2,4,5-tetrazin-6-spiro-1-cyclopentan；6,7,9,10-Tetraazaspiro[4.5]decane-8-thione；6,7,9,10-tetrazaspiro[4.5]decane-8-thione
• CAS: 18801-60-0
• 化学式: C₆H₁₂N₄S
• mdl: MFCD15731824
• 分子量: 172.254
• InChiKey: CDFJTGQOHRLKRN-UHFFFAOYSA-N

物化性质

• 熔点：
  167 °C
• 沸点：
  257.0±23.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  6,7,9,10-tetraaza-spiro[4.5]decane-8-thione 在 哌啶 、 吡啶 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 7'-Benzylidene-6'(7'H)-oxospirothiazolo<3,2-b>-s-tetrazine>
  参考文献：
  名称：

  Jain, K. K.; Pujari, H. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 4, p. 315 - 316

  摘要：

  DOI：
• 作为产物：
  描述：

  硫代卡巴肼 、 环戊酮 反应 0.01h， 以92%的产率得到6,7,9,10-tetraaza-spiro[4.5]decane-8-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].
• 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：——
• Pati, Anita; Sahu, Shankarshan; Patra, Manabendra, Journal of the Indian Chemical Society, 2012, vol. 89, # 5, p. 637 - 645
  作者：Pati, Anita、Sahu, Shankarshan、Patra, Manabendra、Majumdar, Poulomi、Behera, Ajaya Kumar

  DOI：——

  日期：——
• JAIN, K. K.;PUJARI, H. K., INDIAN J. CHEM., 1982, 21, N 4, 315-316
  作者：JAIN, K. K.、PUJARI, H. K.

  DOI：——

  日期：——