4-Methylsulfanyl-9,10-dihydro-7H-6,8-dithia-1,3a,5-triaza-cyclopenta[c]fluoren-2-one | 183547-16-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-Methylsulfanyl-9,10-dihydro-7H-6,8-dithia-1,3a,5-triaza-cyclopenta[c]fluoren-2-one
• 英文别名: 7-Methylsulfanyl-10,13-dithia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-one
• CAS: 183547-16-2
• 化学式: C₁₂H₁₁N₃OS₃
• 分子量: 309.437
• InChiKey: NFTVPBFLJOQHHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Methylsulfanyl-9,10-dihydro-7H-6,8-dithia-1,3a,5-triaza-cyclopenta[c]fluoren-2-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.83h， 以93%的产率得到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：

  2-amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carbonitrile 在 吡啶 、 sodium hydroxide 作用下， 反应 4.0h， 生成 4-Methylsulfanyl-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

文献信息

• New hetero-annelation reactions using N-[bis-(methylthio)-methylene]-amino and related reagents
  作者：F. Sauter、J. Fr�hlich、E. K. Ahmed

  DOI：10.1007/bf00813798

  日期：1996.3

  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.