6'(7'H)-Oxospirothiazolo<3,2-b>-s-tetrazine> | 83515-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 6'(7'H)-Oxospirothiazolo<3,2-b>-s-tetrazine>
• 英文别名: 6'(7'H)-Oxospiro[cyclopentane-1,3'(4'H)-[2H]thiazolo[3,2-b]-s-tetrazine]；Spiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclopentane]-6-one
• CAS: 83515-44-0
• 化学式: C₈H₁₂N₄OS
• 分子量: 212.275
• InChiKey: JDNJWAQWWMHEBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  82
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6'(7'H)-Oxospirothiazolo<3,2-b>-s-tetrazine> 在 哌啶 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 7-benzylidene-2,4-bis[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)methyl]spiro[[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclopentane]-6-one
  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：

  6,7,9,10-tetraaza-spiro[4.5]decane-8-thione 、 氯乙酸 在 sodium acetate 、 溶剂黄146 作用下， 反应 0.01h， 以70%的产率得到6'(7'H)-Oxospirothiazolo<3,2-b>-s-tetrazine>
  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

• Microwave-Assisted Synthesis of Spiro(cycloalkane thiazolo-<i>s</i>-tetrazine)
  作者：Rajani K. Behera、Anita Pati、Manabendra Patra、Ajay K. Behera

  DOI：10.1080/10426500802590038

  日期：2009.10.30

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

  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：——
• 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：——