3-pentylisoquinoline | 1138735-15-5

• 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-pentylisoquinoline
• CAS: 1138735-15-5
• 化学式: C₁₄H₁₇N
• 分子量: 199.296
• InChiKey: NUHXUTALPQWAEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  2-(hept-1-yn-1-yl)benzaldehyde 在 氨 作用下， 以 乙醇 为溶剂， 生成 3-pentylisoquinoline
  参考文献：
  名称：

  钯催化的芳基甲磺酸酯和甲苯磺酸酯的Sonogashira偶联

  摘要：

  加快速度：提出了甲磺酸甲磺酸酯的Sonogashira偶联的第一个一般性和温和的方案（请参阅方案）。偶联中间体还提供了2取代异喹啉的便捷通道。

  DOI：

  10.1002/chem.201001269

文献信息

• Microwave-Promoted Synthesis of<i>N</i>-Heterocycles by Tandem Imination/Annulation of γ- and δ-Ketoalkynes in the Presence of Ammonia
  作者：Maria Alfonsi、Monica Dell'Acqua、Diego Facoetti、Antonio Arcadi、Giorgio Abbiati、Elisabetta Rossi

  DOI：10.1002/ejoc.200900014

  日期：2009.6

  The synthesis of 3-substituted 1-methylpyrrolo[1,2-a]pyrazines and 3-substituted isoquinolines was achieved by the intramolecular cyclisation of 2-acetyl-1-propargylpyrroles and 2-alkynylbenzaldehydes, respectively, in the presence of ammonia under microwave heating. The tandem imination/annulation of 2-alkynylbenzaldehydes was easily accomplished under standard conditions, while TiCl4 was used to

  3-取代的1-甲基吡咯并[1,2-a]吡嗪和3-取代的异喹啉的合成是通过2-乙酰基-1-炔丙基吡咯和2-炔基苯甲醛在氨的存在下在微波下分子内环化而实现的加热。2-炔基苯甲醛的串联亚胺化/环化在标准条件下很容易实现，而 TiCl4 用于实现吡咯并 [1,2-a] 吡嗪。在理论计算和光谱数据的基础上讨论了反应机理和区域选择性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE
  申请人：Okamoto Kuniaki

  公开号：US20120130107A1

  公开（公告）日：2012-05-24

  Object To provide a method for producing a bis-quaternary ammonium salt efficiently and a novel synthetic intermediate thereof. Solution The present invention relates to a method for producing a bis-quaternary ammonium salt represented by a general formula [3] which comprises reacting a disulfonic acid ester represented by a general formula [1] (in the formula, definitions of two R 1 's and T are as described in claim 1 ) with a tertiary amine represented by a general formula [2] (in the formula, definitions of R 3 to R 5 are as described in claim 1 ), and a disulfonic acid ester represented by a general formula [1′] (in the formula, two R 16 's represent independently a halogen atom or a C1-C3 fluoroalkyl group, and two m's represent independently an integer of 1 to 5).

  提供一种高效生产双季铵盐和其新型合成中间体的方法。本发明涉及一种生产由通用式[3]表示的双季铵盐的方法，包括将由通用式[1]表示的二磺酸酯（在该式中，两个R1和T的定义如权利要求1中所述）与由通用式[2]表示的三级胺（在该式中，R3到R5的定义如权利要求1中所述）以及由通用式[1']表示的二磺酸酯（在该式中，两个R16独立表示卤原子或C1-C3氟烷基，两个m独立表示1至5的整数）反应。
• 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE
  申请人：INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

  公开号：US20150099732A1

  公开（公告）日：2015-04-09

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 3-aryl-5-substituted-2H-isoquinolin-1-one compounds that, inter alia, inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.) and/or Wnt signalling. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to inhibit Wnt signalling; to treat disorders that are ameliorated by the inhibition of PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to treat disorders that are ameliorated by the inhibition of Wnt signalling; to treat proliferative conditions such as cancer, etc.

  本发明通常涉及治疗化合物领域。更具体地，本发明涉及某些3-芳基-5-取代-2H-异喹啉-1-酮化合物，该化合物在抑制PARP（例如PARP1，TNKS1，TNKS2等）和/或Wnt信号传导方面具有作用。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物，在体内和体外，来抑制PARP（例如PARP1，TNKS1，TNKS2等）；抑制Wnt信号传导；治疗通过抑制PARP（例如PARP1，TNKS1，TNKS2等）改善的疾病；治疗通过抑制Wnt信号传导改善的疾病；治疗癌症等增生症状。
• Synthesis of Isoquinoline Derivatives via Ag- Catalyzed Cyclization of 2-Alkynyl Benzyl Azides
  作者：Yan-Ning Niu、Ze-Yi Yan、Guo-Lin Gao、Hong-Li Wang、Xing-Zhong Shu、Ke-Gong Ji、Yong-Min Liang

  DOI：10.1021/jo900010m

  日期：2009.4.3

  Ag-catalyzed cyclization of 2-alkynyl benzyl azides offers a novel and efficient method for the synthesis of substituted isoquinoline. The reaction proceeds smoothly in moderate to good yields and tolerates considerable functional groups. The reaction conditions and the scope of the process are examined, and a plausible mechanism is proposed.

  银催化的2-炔基苄基叠氮化物的环化反应为合成取代异喹啉提供了一种新颖而有效的方法。该反应以中等至良好的收率平稳进行，并容许相当大的官能团。研究了反应条件和反应范围，并提出了合理的机理。
• Organic electroluminescent devices
  申请人：Deaton C. Joseph

  公开号：US20050123791A1

  公开（公告）日：2005-06-09

  Disclosed is an electroluminescent device comprising a cathode and anode, and therebetween, at least two light-emitting layers wherein the first layer, layer A, comprises a phosphorescent light-emitting organometallic compound comprising iridium and an isoquinoline group and a second layer, layer B, comprising a light-emitting material. Such devices provide useful white light emissions.

  公开了一种电致发光器件，包括阴极和阳极，其之间至少有两个发光层，其中第一层A包括一种含有铱和异喹啉基的磷光有机金属化合物作为发光材料，第二层B包括一种发光材料。这样的器件提供有用的白光发射。