5',7'-bis(4-methoxyphenyl)-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone | 272447-39-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5',7'-bis(4-methoxyphenyl)-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone
• CAS: 272447-39-9
• 化学式: C₂₆H₂₄N₂O₆S
• 分子量: 492.552
• InChiKey: NLQZMZVEAHLFSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  110.8
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5',7'-bis(4-methoxyphenyl)-2',3',7',8'-tetrahydro-2H,4'H,5'H-spiro[pyrimidine-5,6'-thiochromene]-2,4,4',6(1H,3H)-tetraone 在 氯化亚砜 、 sodium acetate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 7',9'-Bis(4-methoxyphenyl)spiro[1,3-diazinane-5,8'-4,6,7,9-tetrahydrothiochromeno[4,3-d]thiadiazole]-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：

  7,11-bis(4-methoxyphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetraone 在 phosphorus pentoxide 、 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 36.0h， 生成 5',7'-bis(4-methoxyphenyl)-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