6,8,10,11-tetrahydro-5-thioxo-5H-imidazo[1,2-c]thiopyrano[4',3':4,5]thieno[3,2-e]pyrimidin-2(3H)-one | 183547-14-0

• 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: 6,8,10,11-tetrahydro-5-thioxo-5H-imidazo[1,2-c]thiopyrano[4',3':4,5]thieno[3,2-e]pyrimidin-2(3H)-one
• CAS: 183547-14-0
• 化学式: C₁₁H₉N₃OS₃
• 分子量: 295.41
• InChiKey: ORMLDSVECBJBAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44.7
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6,8,10,11-tetrahydro-5-thioxo-5H-imidazo[1,2-c]thiopyrano[4',3':4,5]thieno[3,2-e]pyrimidin-2(3H)-one 在 sodium hydroxide 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.83h， 生成 4-Hydrazino-9,10-dihydro-7H-6,8-dithia-1,3a,5-triaza-cyclopenta[c]fluoren-2-one
  参考文献：
  名称：

  New hetero-annelation reactions using N-[bis-(methylthio)-methylene]-amino and related reagents

  摘要：

  Reaction of acyclic (R(1-3)) and cyclic (R(4-5)) BMMA (=N-[bis-(methylthio)-methylene]-amino) reagents with Gewald-type thiophene derivatives (2, 3) led to annelation of pyrimidine moieties. Thus, linear thiazolo- or thiazino- and pyrrolo-, pyrido- or azepino-fused thiopyrano[4',3':4,5]thieno-[2,3-d]pyrimidines (5 and 6) as well as the angular imidazo-fused thiopyrano[4,'3':4,5]thieno-[2,3-d]pyrimidine 8 were easily obtained from one-pot reactions in good yields.

  DOI：

  10.1007/bf00813798
• 作为产物：
  描述：

  四氢噻喃-4-酮 在 吡啶 、 sulfur 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 6,8,10,11-tetrahydro-5-thioxo-5H-imidazo[1,2-c]thiopyrano[4',3':4,5]thieno[3,2-e]pyrimidin-2(3H)-one
  参考文献：
  名称：

  New hetero-annelation reactions using N-[bis-(methylthio)-methylene]-amino and related reagents

  摘要：

  Reaction of acyclic (R(1-3)) and cyclic (R(4-5)) BMMA (=N-[bis-(methylthio)-methylene]-amino) reagents with Gewald-type thiophene derivatives (2, 3) led to annelation of pyrimidine moieties. Thus, linear thiazolo- or thiazino- and pyrrolo-, pyrido- or azepino-fused thiopyrano[4',3':4,5]thieno-[2,3-d]pyrimidines (5 and 6) as well as the angular imidazo-fused thiopyrano[4,'3':4,5]thieno-[2,3-d]pyrimidine 8 were easily obtained from one-pot reactions in good yields.

  DOI：

  10.1007/bf00813798

文献信息

• Chowdhury, A.Z.M. Shaifullah; Shibata, Yasuyuki; Morita, Masatoshi, Heterocycles, 2001, vol. 55, # 9, p. 1747 - 1757
  作者：Chowdhury, A.Z.M. Shaifullah、Shibata, Yasuyuki、Morita, Masatoshi、Kaya, Kunimitsu、Sano, Tomoharu

  DOI：——

  日期：——