5',7'-diphenyl-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone | 272447-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫吡喃类
• 英文名称: 5',7'-diphenyl-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone
• CAS: 272447-37-7
• 化学式: C₂₄H₂₀N₂O₄S
• 分子量: 432.5
• InChiKey: HHDRAFWOSUMUSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  31.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.34
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5',7'-diphenyl-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone 在 selenium(IV) oxide 、 sodium acetate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 10.0h， 生成 7',9'-Diphenylspiro[1,3-diazinane-5,8'-4,6,7,9-tetrahydrothiochromeno[4,3-d]selenadiazole]-2,4,6-trione
  参考文献：
  名称：

  SYNTHESIS OF SPIRO-TETRAHYDROBENZOTHIENO-1,2,3-SELENN THIADIAZOLES AND SPIRO-TETRA HYDROTHIO-CHROMENO-l,2,3-SELENA/THIADIAZOLES

  摘要：

  The title compounds have been prepared by exploiting alpha -ketomethylene group in spiro-tetrahydrobenzothienones/thiochromenones by oxidative cyclization with SeO2 and Hurd-Mori reaction process with SOCl2. The latter compounds have been obtained by the reaction of mereaptoacetic/propanoic acids with spiro-pyrimidinetriones and isoxazolidinediones followed by cyclodehydration with P2O5.

  DOI：

  10.1080/10426509808033732
• 作为产物：
  描述：

  3-(1,3,5-Trioxo-7,11-diphenyl-2,4-diaza-spiro[5.5]undec-8-en-9-ylsulfanyl)-propionic acid 在 phosphorus pentoxide 作用下， 以 苯 为溶剂， 反应 12.0h， 以62%的产率得到5',7'-diphenyl-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone
  参考文献：
  名称：

  SYNTHESIS OF SPIRO-TETRAHYDROBENZOTHIENO-1,2,3-SELENN THIADIAZOLES AND SPIRO-TETRA HYDROTHIO-CHROMENO-l,2,3-SELENA/THIADIAZOLES

  摘要：

  The title compounds have been prepared by exploiting alpha -ketomethylene group in spiro-tetrahydrobenzothienones/thiochromenones by oxidative cyclization with SeO2 and Hurd-Mori reaction process with SOCl2. The latter compounds have been obtained by the reaction of mereaptoacetic/propanoic acids with spiro-pyrimidinetriones and isoxazolidinediones followed by cyclodehydration with P2O5.

  DOI：

  10.1080/10426509808033732