3-ethyl-1-methylisoquinoline | 29558-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-ethyl-1-methylisoquinoline
• 英文别名: 3-ethyl-1-methyl-isoquinoline；1-Methyl-3-aethylisochinolin；1-Methyl-3-ethyl-isochinolin
• CAS: 29558-73-4
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: WEZTZDFAVSHGLS-UHFFFAOYSA-N

物化性质

• 熔点：
  178-179 °C
• 沸点：
  276.0±9.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 3-ethyl-1-methylisoquinoline
  参考文献：
  名称：

  Zielinski, Wojciech, Polish Journal of Chemistry, 1982, vol. 56, # 1, p. 93 - 100

  摘要：

  DOI：

文献信息

• A CONVENIENT SYNTHETIC METHOD OF 1,3-DISUBSTITUTED ISOQUINOLINES USING SILVER TRIFLUOROMETHANESULFONATE AS A KEY REAGENT
  作者：Tadashi Sato、Kunio Tamura、Kazuo Nagayoshi

  DOI：10.1246/cl.1983.791

  日期：1983.5.5

  1,3-Disubstituted isoquinolines were prepared under mild conditions from allylbenzenes and nitriles using silver trifluoromethanesulfonate and iodine.

  1,3-二取代异喹啉是在温和条件下，使用三氟甲磺酸银和碘从烯丙基苯和腈制备的。
• Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands
  申请人：Cook, II James H.

  公开号：US20100099684A1

  公开（公告）日：2010-04-22

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本公开提供公式I的化合物，包括其盐，以及使用这些化合物的组合物和方法。这些化合物是尼古丁α7受体的配体，可能对中枢神经系统的各种疾病，特别是情感和神经退行性疾病的治疗有用。
• QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150094309A1

  公开（公告）日：2015-04-02

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本公开提供I式化合物及其盐，以及使用该化合物的组合物和方法。该化合物是尼古丁α7受体的配体，可用于治疗中枢神经系统的各种障碍，特别是情感和神经退行性障碍。
• Chemoselective <i>sp</i>²-<i>sp</i>³ Cross-Couplings: Iron-Catalyzed Alkyl Transfer to Dihaloaromatics
  作者：Sushant Malhotra、Pamela S. Seng、Stefan G. Koenig、Alan J. Deese、Kevin A. Ford

  DOI：10.1021/ol401508u

  日期：2013.7.19

  The chemoselective functionalization of a range of dihaloaromatics with methyl, cyclopropyl, and higher alkyl Grignard reagents via iron-catalyzed cross-coupling is described. The site selectivity of C-X (X = halogen) activation is determined by factors such as the position of the halogen on the ring, the solvent, and the nucleophile. A one-pot protocol for the chemoselective synthesis of mixed dialkyl heterocycles is achieved solely employing iron catalysis.
• SATO, TADASHI;TAMURA, KUNIO;NAGAYAOSHI, KAZUO, CHEM. LETT., 1983, N 5, 791-794
  作者：SATO, TADASHI、TAMURA, KUNIO、NAGAYAOSHI, KAZUO

  DOI：——

  日期：——