1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline] | 178976-84-6

• 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: 1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]
• 英文别名: spiro[2,4-dihydro-1H-isoquinoline-3,1'-cyclohexane]
• CAS: 178976-84-6
• 化学式: C₁₄H₁₉N
• 分子量: 201.312
• InChiKey: WPELIEJDHQAGSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline] 在 sodium tungstate 、 双氧水 作用下， 以 乙醇 为溶剂， 生成 2-oxidospiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]
  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：

  3,3-pentamethylene-3,4-dihydroisoquinoline 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-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

文献信息

• Synthesis of spirocyclic tetrahydroisoquinolines (spiroTHIQs) via the Castagnoli-Cushman reaction
  作者：Alexander Safrygin、Dmitry Dar'in、Olga Bakulina、Mikhail Krasavin

  DOI：10.1016/j.tetlet.2020.152408

  日期：2020.10

  A new route to privileged spirocyclic tetrahydroisoquinolines (spiroTHIQs) has been developed. The key step in which the spirocyclic system is formed in generally good yields and diastereoselectivity is the three-component Castagnoli-Cushman reaction of homophthalic anhydride, cyclic ketones and ammonium acetate. Decarboxylation of the initial adduct yields THIQ lactams which are reduced by lithium

  已经开发了一条新的特权螺环四氢异喹啉（spiroTHIQs）的途径。通常以良好的收率和非对映选择性形成螺环体系的关键步骤是高邻苯二甲酸酐，环酮和乙酸铵的三组分Castagnoli-Cushman反应。初始加合物的脱羧产生THIQ内酰胺，其被氢化铝锂还原。与先前报道的类似螺环构建基团的合成方法相比，该路线更短，更收敛且操作更简单。
• 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