6',7'-dihydrospiro[cyclopentane-1,3'(4'H)-[2H]thiazolo[3,2-b]-s-tetrazine] | 500016-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 6',7'-dihydrospiro[cyclopentane-1,3'(4'H)-[2H]thiazolo[3,2-b]-s-tetrazine]
• 英文别名: 3,4,6,7-tetrahydro-2H-[1,3]thiazolo[3,2-b][1,2,4,5]tetraazine-3-spiro-1-cyclopentane；spiro[2,4,6,7-tetrahydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclopentane]
• CAS: 500016-06-8
• 化学式: C₈H₁₄N₄S
• 分子量: 198.292
• InChiKey: JCYXHLUPVWXPND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.68
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  39.66
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  6,7,9,10-tetraaza-spiro[4.5]decane-8-thione 、 1,2-二溴乙烷 在 溶剂黄146 作用下， 反应 0.01h， 以62%的产率得到6',7'-dihydrospiro[cyclopentane-1,3'(4'H)-[2H]thiazolo[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