3,3-pentamethylene-3,4-dihydroisoquinoline | 20453-26-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 3,3-pentamethylene-3,4-dihydroisoquinoline
• 英文别名: 4'H-spiro[cyclohexane-1,3'-isoquinoline]；spiro[4H-isoquinoline-3,1'-cyclohexane]
• CAS: 20453-26-3
• 化学式: C₁₄H₁₇N
• 分子量: 199.296
• InChiKey: UPBXRBOGCLETCS-UHFFFAOYSA-N

物化性质

• 沸点：
  339.1±22.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  1-苯甲基环己醇 在 硫酸 、 三氯化铁 作用下， 以 溶剂黄146 为溶剂， 生成 3,3-pentamethylene-3,4-dihydroisoquinoline
  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

• Properties of 3,3-dialkyl-3,4-dihydro-isoquinoline cyclic azomethines
  作者：O. V. Surikov、A. G. Mikhailovskii、M. I. Vakhrin

  DOI：10.1007/s10593-010-0453-x

  日期：2009.12

  The reactions of 3,3-dialkyl-3,4-dihydroisoquinoline cyclic azomethines with the methyl ester and p-toluidide of iodoacetic acid gave stable quaternary ammonium salts which were suitable dipoles for [3+2] cycloaddition reactions. Azomethines activated by iodomethylation react with potassium cyanide and malonodinitrile.
• Mandelonitrile in synthesis of partially hydrogenated isoquinoline derivatives
  作者：A. V. Kharitonova、A. A. Gorbunov、Yu. V. Shklyaev

  DOI：10.1134/s107042721008032x

  日期：2010.8

  New procedures for preparing tetrahydroisoquinoline derivatives using available chemicals are described.