2-Isothiocyanato-4,7-dihydro-5H-thieno<2,3-c>thiopyran-3-carboxylic acid ethyl ester | 173281-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-Isothiocyanato-4,7-dihydro-5H-thieno<2,3-c>thiopyran-3-carboxylic acid ethyl ester
• 英文别名: 2-Isothiocyanato-4,7-dihydro-5h-thieno[2,3-c]-thiopyran-3-carboxylic acid ethyl ester；ethyl 2-isothiocyanato-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
• CAS: 173281-04-4
• 化学式: C₁₁H₁₁NO₂S₃
• 分子量: 285.412
• InChiKey: JUVSFVDCEXZZSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Isothiocyanato-4,7-dihydro-5H-thieno<2,3-c>thiopyran-3-carboxylic acid ethyl ester 在 吡啶 作用下， 反应 44.0h， 生成 2,3,6,9-Tetrahydro-5H,7H-thiazolo<3,2-a>thiopyrano<4',3':4,5>thieno<2,3-d>pyrimidin-5-one
  参考文献：
  名称：

  Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines

  摘要：

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.

  DOI：

  10.1007/bf00811015
• 作为产物：
  描述：

  四氢噻喃-4-酮 在 吗啉 、 sulfur 、 calcium carbonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-Isothiocyanato-4,7-dihydro-5H-thieno<2,3-c>thiopyran-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines

  摘要：

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.

  DOI：

  10.1007/bf00811015

文献信息

• Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines
  作者：E. K. Ahmed

  DOI：10.1007/bf00811015

  日期：——

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.