9-Chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione | 182217-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 9-Chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
• CAS: 182217-82-9
• 化学式: C₁₃H₁₂ClNO₃
• 分子量: 265.696
• InChiKey: RQUCABMUPJBEDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-Chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione 在 sodium tetrahydroborate 、 硫酸 作用下， 以 甲醇 为溶剂， 生成 7-chloro-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
  参考文献：
  名称：

  Synthesis and radical scavenging activity of 3,3-dialkyl-3,4-dihydro-isoquinoline 2-oxides

  摘要：

  The syntheses and antioxidant activities of several cyclic nitrones related to phenyl t-butyl nitrone (PBN) are described. These nitrones may act as radical scavengers and have potential uses in the treatment of stroke and septic shock. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00181-3
• 作为产物：
  描述：

  4-(2-甲基-2-丙烯-1-基)氯苯 在 硫酸 、 三氯化铁 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 生成 9-Chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
  参考文献：
  名称：

  Synthesis and radical scavenging activity of 3,3-dialkyl-3,4-dihydro-isoquinoline 2-oxides

  摘要：

  The syntheses and antioxidant activities of several cyclic nitrones related to phenyl t-butyl nitrone (PBN) are described. These nitrones may act as radical scavengers and have potential uses in the treatment of stroke and septic shock. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00181-3

文献信息

• Thermal Cleavage of Oxazolidine-4,5-diones to Imines: A Short Synthesis of 3,4-Dihydro-3,3-dimethyl-7-trifluoromethylisoquinoline-2-oxide
  作者：Ronald C. Bernotas、Ginette Adams、Thaddeus R. Nieduzak

  DOI：10.1080/00397919608003751

  日期：1996.9

  Abstract A series of oxazolidine-4,5-diones 2 was thermally cleaved to cyclic imines 3 in excellent yield. This reaction was utilized in an efficient synthesis of a 3,4-dihydroisoquinoline-based nitrone 1b.

  摘要 一系列恶唑烷-4,5-二酮 2 以优异的产率热裂解成环亚胺 3。该反应用于有效合成基于 3,4-二氢异喹啉的硝酮 1b。
• Synthesis and radical scavenging activity of 3,3-dialkyl-3,4-dihydro-isoquinoline 2-oxides
  作者：Ronald C. Bernotas、Craig E. Thomas、Albert A. Carr、Thaddeus R. Nieduzak、Ginette Adams、David F. Ohlweiler、David A. Hay

  DOI：10.1016/0960-894x(96)00181-3

  日期：1996.5

  The syntheses and antioxidant activities of several cyclic nitrones related to phenyl t-butyl nitrone (PBN) are described. These nitrones may act as radical scavengers and have potential uses in the treatment of stroke and septic shock. (C) 1996 Elsevier Science Ltd