3,3,7,7-tetramethyltetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione | 16085-51-1

• 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: 3,3,7,7-tetramethyltetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
• 英文别名: 3,3,7,7-tetramethyl-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione；3,3,7,7-Tetramethyl-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazol-1,5-dithion；3,3,7,7-Tetramethyl-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione；3,3,7,7-tetramethyl-2,6-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
• CAS: 16085-51-1
• 化学式: C₈H₁₄N₄S₂
• mdl: MFCD01854795
• 分子量: 230.358
• InChiKey: HZSNLBXLJKPULH-UHFFFAOYSA-N

物化性质

• 沸点：
  256.2±23.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-[Oxido(diphenoxy)phosphaniumyl]-3-[[oxido(diphenoxy)phosphaniumyl]carbamothioylamino]thiourea 、 丙酮 以 二氯甲烷 为溶剂， 反应 1.0h， 以89%的产率得到3,3,7,7-tetramethyltetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
  参考文献：
  名称：

  Novel facile single source precursor N-phosphorylated bis-thiourea [NHC(S)NHP(O)(OPh)2]2 for the “criss-cross” formation of s-triazolidino[1,2-a]-s-triazolidine-3,7-dithiones: First structurally characterized representative

  摘要：

  The reaction of hydrazine with S=C=N-P(O)(OPh)(2) leads to new bifunctional N-phosphorylated bis-thiourea, [NHC(S)NHP(O)(OPh)(2)](2) (L). The structure of L has been studied by NMR spectroscopy in CDCl3 and DMSO-d(6) solutions, where the bis-thiourea L shows a tautomeric versatility. It was found that compound L is a facile single source precursor for the formation of the s-triazolidino[1,2-a]-s-triazolidine-3,7-dithiones by the reaction with ketones. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.06.034

文献信息

• Miyatake, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 460,462
  作者：Miyatake

  DOI：——

  日期：——
• Novel facile single source precursor N-phosphorylated bis-thiourea [NHC(S)NHP(O)(OPh)2]2 for the “criss-cross” formation of s-triazolidino[1,2-a]-s-triazolidine-3,7-dithiones: First structurally characterized representative
  作者：Damir A. Safin、Maria G. Babashkina、Michael Bolte、Yann Garcia

  DOI：10.1016/j.poly.2013.06.034

  日期：2013.10

  The reaction of hydrazine with S=C=N-P(O)(OPh)(2) leads to new bifunctional N-phosphorylated bis-thiourea, [NHC(S)NHP(O)(OPh)(2)](2) (L). The structure of L has been studied by NMR spectroscopy in CDCl3 and DMSO-d(6) solutions, where the bis-thiourea L shows a tautomeric versatility. It was found that compound L is a facile single source precursor for the formation of the s-triazolidino[1,2-a]-s-triazolidine-3,7-dithiones by the reaction with ketones. (c) 2013 Elsevier Ltd. All rights reserved.