4aH-carbazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4aH-carbazole
• 化学式: C₁₂H₉N
• 分子量: 167.21
• InChiKey: CYBHWCLUGRHMCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  4aH-carbazole 在 1,3,5-trimethylpyridine 作用下， 以 甲苯 为溶剂， 生成 咔唑
  参考文献：
  名称：

  二苯基硝鎓离子：环化，电子转移和聚合反应

  摘要：

  使用激光闪光光解法（LFP），产物分析和使用密度泛函理论（DFT）的计算模型检查了二苯基硝鎓离子的反应。在不存在捕集剂的情况下，二苯基硝鎓离子环化形成咔唑。根据激光闪光光解实验和DFT计算，有人认为该过程是协同的环化/质子转移，形成咔唑的H-4a互变异构体。额外的LFP实验和产品研究表明，二苯基硝鎓离子与富电子芳烃（例如N，N-二甲基苯胺，二苯胺和咔唑）通过最初的单电子转移。然后在该步骤中形成的自由基中间体偶联形成二聚产物。二苯基硝酸根离子与这些二聚体之间的次级反应导致形成低聚材料。

  DOI：

  10.1021/jo050598z

文献信息

• Substituted Piperdines as Renin Inhibitors
  申请人：Ehara Takeru

  公开号：US20090137566A1

  公开（公告）日：2009-05-28

  The invention relates to substituted 3,4- or higher substituted piperididine compounds, the use thereof for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; pharmaceutical formulations or products comprising said compounds, and/or a method of treatment comprising administering said compounds, a method for the manufacture of said compounds, as well as novel intermediates, starting materials and/or partial steps for their synthesis. The compounds preferably have the formula I, wherein the moieties R1, R2, R11 and W are as defined in the specification.

  该发明涉及替代的3,4-或更高替代的哌啶基化合物，其用于制备用于治疗依赖肾素活性的疾病的药物配方；该类化合物在治疗依赖肾素活性的疾病中的应用；这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病的治疗；包括上述化合物的药物配方或产品，以及/或包括上述化合物的给药方法，制备上述化合物的方法，以及用于其合成的新中间体、起始材料和/或部分步骤。这些化合物优选具有公式 I，其中基团 R1、R2、R11 和 W 如规范中所定义。
• Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye
  申请人：Hercouet Leila

  公开号：US20070006398A1

  公开（公告）日：2007-01-11

  Disclose herein is a composition for dyeing keratin fibers, for example, human keratin fibers such as the hair, comprising at least one oxidation base chosen from diamino-N,N-dihydropyrazolones and addition salts thereof, at least one coupler, and at least one heterocyclic direct dye. Also disclosed herein is a method for dyeing keratin fibers comprising applying a composition of the present disclosure to the keratin fibers. The compositions and methods of the present disclosure may make it possible to obtain fast coloration of keratin fibers that is resistant to light and/or to washing.

  本文披露了一种用于染色角蛋白纤维的组合物，例如，人类角蛋白纤维如头发，包括至少选择自二氨基-N，N-二氢吡唑酮和其盐中的至少一种氧化碱，至少一种偶联剂，以及至少一种杂环直接染料。本文还披露了一种染色角蛋白纤维的方法，包括将本文所述的组合物应用于角蛋白纤维。本文所披露的组合物和方法可能使得能够获得对光线和/或洗涤具有抗性的角蛋白纤维的快速着色。
• MODIFIED POLYAROMATIC HYDROCARBONS AND POLYHETEROCYCLICS FOR OPTOELECTRONICS
  申请人：Colorado State University Research Foundation

  公开号：US20140221655A1

  公开（公告）日：2014-08-07

  The invention provides methods for substituting polyaromatic hydrocarbons or polyheterocyclic compounds with perfluoroalkyl groups. The methods can include heating a polyaromatic hydrocarbon substrate or a polyheterocyclic compound substrate in the presence of a perfluoroalkyl iodide, typically in a closed system, wherein the heating is sufficient to bring both the polyaromatic hydrocarbons or polyheterocyclic compound, and the perfluoroalkyl iodide, into the gas phase, thereby allowing the substrate to react with the perfluoroalkyl iodide in the gas phase to form polyaromatic hydrocarbons or polyheterocyclic compounds having one or more perfluoroalkyl substituents. The methods allow for the creation of versatile libraries of novel perfluoroalkyl-containing derivatives that can serve as important building blocks and active components in biomedical, electronic, and materials applications.

  本发明提供了用全氟烷基取代多芳香族烃或多杂环化合物的方法。该方法可以包括在全氟烷基碘的存在下加热多芳香族烃基底物或多杂环化合物基底物，通常在封闭系统中，其中加热足以使多芳香族烃或多杂环化合物和全氟烷基碘进入气相，从而允许底物与气相中的全氟烷基碘反应，形成具有一个或多个全氟烷基取代基的多芳香族烃或多杂环化合物。该方法允许创建多种新的含全氟烷基衍生物的多样化库，这些衍生物可以作为生物医学、电子和材料应用中的重要构建模块和活性组分。
• CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING
  申请人：Edwards Scott D.

  公开号：US20070140973A1

  公开（公告）日：2007-06-21

  The present invention is directed, in part, to compounds and methods for diagnostic imaging, comprising administering to a patient a contrast agent which has an overall negative charge.

  本发明在一定程度上涉及化合物和用于诊断成像的方法，包括向患者施用总体带有负电荷的造影剂。
• METHOD FOR PRODUCTION OF N-CARBOXY AMINO ACID ANHYDRIDE AND AMINO ACID CARBAMATE COMPOUND
  申请人：Endo Takeshi

  公开号：US20110152561A1

  公开（公告）日：2011-06-23

  A method for production of an N-carboxy amino acid anhydride with efficiency is provided. The method for production of an N-carboxy amino acid anhydride includes a step of reaction of an amino acid organic salt compound with a carbonic acid diester.

  提供了一种高效的生产N-羧基氨基酸酐的方法。该生产N-羧基氨基酸酐的方法包括将氨基酸有机盐化合物与碳酸二酯反应的步骤。