3-(1,3,5-Trioxo-7,11-diphenyl-2,4-diaza-spiro[5.5]undec-8-en-9-ylsulfanyl)-propionic acid | 272447-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(1,3,5-Trioxo-7,11-diphenyl-2,4-diaza-spiro[5.5]undec-8-en-9-ylsulfanyl)-propionic acid
• CAS: 272447-22-0
• 化学式: C₂₄H₂₂N₂O₅S
• 分子量: 450.515
• InChiKey: LSSZGVXIUHLAMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112.57
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-(1,3,5-Trioxo-7,11-diphenyl-2,4-diaza-spiro[5.5]undec-8-en-9-ylsulfanyl)-propionic acid 在 氯化亚砜 、 sodium acetate 、 phosphorus pentoxide 作用下， 以 甲醇 、 二氯甲烷 、 苯 为溶剂， 反应 22.0h， 生成 7',9'-Diphenylspiro[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-diphenyl-2,4-diaza-spiro[5.5]undecane-1,3,5,9-tetraone 、 3-巯基丙酸 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 24.0h， 以55%的产率得到3-(1,3,5-Trioxo-7,11-diphenyl-2,4-diaza-spiro[5.5]undec-8-en-9-ylsulfanyl)-propionic acid
  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