3-methylisoquinolin-1-amine | 155999-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-methylisoquinolin-1-amine
• 英文别名: 3-methyl-[1]isoquinolylamine；3-Methyl-[1]isochinolylamin；1-Isoquinolinamine, 3-methyl-
• CAS: 155999-48-7
• 化学式: C₁₀H₁₀N₂
• mdl: MFCD18802680
• 分子量: 158.203
• InChiKey: SXNUAJKLSKTYGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-氨基-3-甲基异喹啉-4-甲腈 以35%的产率得到
  参考文献：
  名称：

  Deady Leslie W., Quazi Nurul H., Synth. Commun, 25 (1995) N 3, S 309-320

  摘要：

  DOI：

文献信息

• Acetylation of α-Cyano-<i>o</i>-tolunitrile: A Reinvestigation and Convenient Synthesis of Isoquinolines
  作者：L. W. Deady、N. H. Quazi

  DOI：10.1080/00397919508011362

  日期：1995.2

  Abstract The product from the diacetylation of α-cyano-o-tolunitrile has now been assigned as an isocoumarin derivative. This is readily transformed into various 1-substituted-3-methylisoquinoline-4-carbonitriles by reaction with oxygen, nitrogen, carbon and hydrogen nucleophiles.

  摘要 α-氰基邻甲苯腈二乙酰化的产物现已被指定为异香豆素衍生物。通过与氧、氮、碳和氢亲核试剂反应，这很容易转化为各种 1-取代-3-甲基异喹啉-4-腈。
• ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：EP3188277A1

  公开（公告）日：2017-07-05

  An organic light-emitting device comprises: a first electrode; a second electrode; and an organic layer between the first electrode and the second electrode, the organic layer comprising an emission layer, wherein the organic layer comprises a first compound represented by Formula 1 and a second compound represented by Formula 2, wherein a case where the first compound is 4,4'-bis(N-carbazolyl)-1,1'-biphenyl(CBP) is excluded:

  一种有机发光器件包括：第一电极；第二电极；以及位于第一电极和第二电极之间的有机层，有机层包括发射层，其中有机层包括由式 1 表示的第一化合物和由式 2 表示的第二化合物，其中不包括第一化合物为 4,4'-双（N-咔唑基）-1,1'-联苯（CBP）的情况：
• Syntheses of 2,4-Diaminopyrimidines and 1-Aminoisoquinolines in the Reactions of Alkyl and Benzyl Ketones with Cyanamide and N,N-dimethylcyanamide
  作者：Wojciech Zielinski、Monika Mazik

  DOI：10.3987/com-93-6583

  日期：——

  The reaction of alkyl and benzyl ketones with cyanamide and N,N-dimethylcyanamide in the presence of POCl3 was examined. At the first stage, chloroformamidine derivatives were formed. In the presence of TiCl4, they underwent further reactions to the derivatives of 1-aminoisoquinoline and 2,4-diaminopyrimidine. The effect of a constitution of substrates on adequate ratios of heterocyclic compounds is discussed.
• SOME DERIVATIVES OF 3-METHYLISOQUINOLINE
  作者：F. W. BERGSTROM、ROBERT E. PATERSON

  DOI：10.1021/jo01181a015

  日期：1945.9
• FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1773786B1

  公开（公告）日：2017-04-26