1-(4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-4-phenylthiosemicarbazide | 302949-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 1-(4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-4-phenylthiosemicarbazide
• 英文别名: 1-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)amino]-3-phenylthiourea
• CAS: 302949-25-3
• 化学式: C₁₇H₁₇N₅OS₂
• 分子量: 371.487
• InChiKey: FGSVBQUQTNDOMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-4-phenylthiosemicarbazide 在 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.67h， 以73%的产率得到1-Phenylamino-6,7,8,9-tetrahydrobenzo[b]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
  参考文献：
  名称：

  Reaction of 1-hetaryl-4-phenylthiosemicarbazides with N,N′-dicyclohexylcarbodiimide

  摘要：

  1,2,4-Triazolo[3,4-b][1,3] benzothiazole, 1,2,4-triazolo[4,3-a] pyrimidine, and thieno[3,2-e][1,2,4]triazolo-[4,3-a] pyrimidine derivatives were synthesized by reactions of 1-hetaryl-4-phenylthiosemicarbazides with N,N'-dicyclohexylcarbodiimide.

  DOI：

  10.1134/s1070428009090127
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 2-hydrazino-5,6,7,8-tetrahydro<1>benzothieno<2,3-d>pyrimidin-4(3H)-one 以 乙醇 为溶剂， 反应 4.0h， 以86%的产率得到1-(4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-4-phenylthiosemicarbazide
  参考文献：
  名称：

  Khripak; Vas'kevich; Zborovskii, Russian Journal of Organic Chemistry, 2000, vol. 36, # 3, p. 430 - 431

  摘要：

  DOI：

文献信息

• Synthesis of fused triazolothienopyrimidine derivatives
  作者：R. I. Vas’kevich、P. V. Savitskii、Yu. L. Zborovskii、V. I. Staninets、A. V. Turov、A. N. Chernega

  DOI：10.1134/s1070428006090260

  日期：2006.9

  Reactions of substituted 1-(thieno[2,3-d]pyrimidin-2-yl)-4-arylthiosemicarbazides with methyl iodide led to the formation of fused triazolothienopyrimidine derivatives.
• Reaction of 4-Aryl-1-(4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidin-2-yl)thiosemicarbazides with Dimethyl Acetylenedicarboxylate
  作者：R. I. Vas’kevich、Yu. L. Zborovskii、V. I. Staninets、A. N. Chernega

  DOI：10.1023/b:rujo.0000045202.20807.f8

  日期：2004.7

  4-Aryl-1-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thiosemicarbazides react with dimethyl acetylenedicarboxylate in methanol to give the corresponding methyl 3-aryl-4-oxo-2-[(4-oxo-3,4-dihydrothieno[2.3-d]pyrimidin-2-yl)hydrazono]-1,3-thiazolidin-5-ylidene} acetates, whereas in dioxane methyl 5-arylamino-2-methoxycarbonylmethyl-3-(4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylates are mainly formed.
• Khripak; Vas'kevich; Zborovskii, Russian Journal of Organic Chemistry, 2000, vol. 36, # 3, p. 430 - 431
  作者：Khripak、Vas'kevich、Zborovskii、Staninets

  DOI：——

  日期：——
• Reaction of 1-hetaryl-4-phenylthiosemicarbazides with N,N′-dicyclohexylcarbodiimide
  作者：R. I. Vas’kevich、P. V. Savitskii、Yu. L. Zborovskii、V. I. Staninets

  DOI：10.1134/s1070428009090127

  日期：2009.9

  1,2,4-Triazolo[3,4-b][1,3] benzothiazole, 1,2,4-triazolo[4,3-a] pyrimidine, and thieno[3,2-e][1,2,4]triazolo-[4,3-a] pyrimidine derivatives were synthesized by reactions of 1-hetaryl-4-phenylthiosemicarbazides with N,N'-dicyclohexylcarbodiimide.