6’,6’-dimethyl-1-phenyl-6’,7’-dihydro-4’H-spiro[indole-3,9’-tetrazolo[5,1-b]quinazoline]-2,8’(1H,5’H)-dione | 1515741-45-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6’,6’-dimethyl-1-phenyl-6’,7’-dihydro-4’H-spiro[indole-3,9’-tetrazolo[5,1-b]quinazoline]-2,8’(1H,5’H)-dione
• 英文别名: 6,6-dimethyl-1'-phenylspiro[5,7-dihydro-4H-tetrazolo[5,1-b]quinazoline-9,3'-indole]-2',8-dione
• CAS: 1515741-45-3
• 化学式: C₂₃H₂₀N₆O₂
• 分子量: 412.451
• InChiKey: ZGAGTNDZYBHEBY-UHFFFAOYSA-N

物化性质

• 沸点：
  639.3±65.0 °C(predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  93
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-氨基四氮唑 、 1-苯基靛红 、 5,5-二甲基-1,3-环己二酮 在 perchloric acid * acetic acid 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 6’,6’-dimethyl-1-phenyl-6’,7’-dihydro-4’H-spiro[indole-3,9’-tetrazolo[5,1-b]quinazoline]-2,8’(1H,5’H)-dione
  参考文献：
  名称：

  Superacid Catalysed the One-Pot Synthesis of Spiro[indole-3,9′-tetrazolo[5,1-b]quinazoline]-2,8′(1H, 5′H)-dione in aqueous medium

  摘要：

  An efficient, one-pot synthesis of spiro[indole-3,9'-tetrazolo[5,1-b] quinazoline]-2,8'(1H, 5'H)-dione derivatives by the reaction of isatin, 5-amino-1H-tetrazole, and 5,5-dimethylcyclohexane-1,3-dione catalysed by a superacid ([MeC(OH)(2)]+ClO4-) in aqueous medium is described. This protocol provides a simple one-step procedure with the advantages of easy work-up, high yield, mild reaction conditions and is environmental friendly.

  DOI：

  10.3184/174751913x13815671990200

文献信息

• Superacid Catalysed the One-Pot Synthesis of Spiro[indole-3,9′-tetrazolo[5,1-<i>b</i>]quinazoline]-2,8′(1<i>H</i>, 5′<i>H</i>)-dione in aqueous medium
  作者：Yong Dai、Gang Qi、Xiao-rong Qian

  DOI：10.3184/174751913x13815671990200

  日期：2013.11

  An efficient, one-pot synthesis of spiro[indole-3,9'-tetrazolo[5,1-b] quinazoline]-2,8'(1H, 5'H)-dione derivatives by the reaction of isatin, 5-amino-1H-tetrazole, and 5,5-dimethylcyclohexane-1,3-dione catalysed by a superacid ([MeC(OH)(2)]+ClO4-) in aqueous medium is described. This protocol provides a simple one-step procedure with the advantages of easy work-up, high yield, mild reaction conditions and is environmental friendly.