4,6-bis(4-methoxyphenyl)-6,7-dihydro-2'H,4H-spiro[benzo[b]thiophene-5,5'-pyrimidine]-2',3,4',6'(1'H,2H,3'H)-tetraone | 272447-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,6-bis(4-methoxyphenyl)-6,7-dihydro-2'H,4H-spiro[benzo[b]thiophene-5,5'-pyrimidine]-2',3,4',6'(1'H,2H,3'H)-tetraone
• CAS: 272447-32-2
• 化学式: C₂₅H₂₂N₂O₆S
• 分子量: 478.525
• InChiKey: NPFNIXKXYKQLJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 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：

  4,6-bis(4-methoxyphenyl)-6,7-dihydro-2'H,4H-spiro[benzo[b]thiophene-5,5'-pyrimidine]-2',3,4',6'(1'H,2H,3'H)-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 6',8'-bis(4-methoxyphenyl)spiro[1,3-diazinane-5,7'-6,8-dihydro-5H-[1]benzothiolo[3,2-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 4,6-bis(4-methoxyphenyl)-6,7-dihydro-2'H,4H-spiro[benzo[b]thiophene-5,5'-pyrimidine]-2',3,4',6'(1'H,2H,3'H)-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