2-[4-(4-methylphenyl)buta-1,3-diyn-1-yl]aniline | 1043252-31-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[4-(4-methylphenyl)buta-1,3-diyn-1-yl]aniline
• 英文别名: 2-[4-(4-Methylphenyl)buta-1,3-diynyl]aniline
• CAS: 1043252-31-8
• 化学式: C₁₇H₁₃N
• 分子量: 231.297
• InChiKey: RBQJQZFPQGYDTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-[4-(4-methylphenyl)buta-1,3-diyn-1-yl]aniline 在 potassium hydride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 1.0h， 以50%的产率得到2-(p-tolylethynyl)-1H-indole
  参考文献：
  名称：

  A rapid synthesis of 2-alkynylindoles and 2-alkynylbenzofurans

  摘要：

  An expeditious synthesis of 2-alkynylindoles and 2-alkynylbenzofuran derivatives has been devised starting from easily available ortho-substituted aryl diynes. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.059
• 作为产物：
  描述：

  4-碘甲苯 、 2-(4-trimethylsilyl-1,3-butadiyn-1-yl)aniline 在 四(三苯基膦)钯 甲醇 、 potassium carbonate 、 silver(I) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以79%的产率得到2-[4-(4-methylphenyl)buta-1,3-diyn-1-yl]aniline
  参考文献：
  名称：

  A rapid synthesis of 2-alkynylindoles and 2-alkynylbenzofurans

  摘要：

  An expeditious synthesis of 2-alkynylindoles and 2-alkynylbenzofuran derivatives has been devised starting from easily available ortho-substituted aryl diynes. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.059

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS
  申请人：FORGE THERAPEUTICS INC

  公开号：WO2020102572A1

  公开（公告）日：2020-05-22

  Provided herein are heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds that are useful for inhibiting the growth of gram-negative bacteria. Furthermore, the subject compounds and compositions are useful for the treatment of bacterial infection, such as urinary tract infection and the like.

  本文提供了一种杂环衍生物化合物和包含该化合物的药物组合物，用于抑制革兰氏阴性细菌的生长。此外，这些化合物和组合物对于治疗细菌感染，如尿路感染等，具有益处。
• A One-Pot Approach to Phenanthridine Derivatives through Two-Step Rhodium(I) and Gold(I) Catalysis
  作者：Zizhong Zhu、Kai Chen、Qin Xu、Min Shi

  DOI：10.1002/adsc.201500407

  日期：2015.10.12

  An effective one-pot procedure for the synthesis of phenanthridine derivatives containing N- or O-heterocycles has been developed through a two-step rhodium-catalyzed [2+2+2] cycloaddition and gold-catalyzed heterocyclization under mild conditions. The substrate scope has been investigated and a plausible reaction mechanism has been proposed on the basis of control experiments and previous literature

  通过在温和条件下进行两步铑催化的[2 + 2 + 2]环加成反应和金催化的杂环化反应，已经开发出一种有效的一锅法，用于合成含有N或O杂环的菲啶衍生物。在控制实验和以前的文献报道的基础上，对底物的范围进行了研究，并提出了合理的反应机理。
• Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(<scp>i</scp>)-catalysed cascade reaction of azide-diynes and arenes
  作者：Yuiki Kawada、Shunsuke Ohmura、Misaki Kobayashi、Wataru Nojo、Masaki Kondo、Yuka Matsuda、Junpei Matsuoka、Shinsuke Inuki、Shinya Oishi、Chao Wang、Tatsuo Saito、Masanobu Uchiyama、Takanori Suzuki、Hiroaki Ohno

  DOI：10.1039/c8sc03525c

  日期：——

  gave annulated [c]carbazoles. Using benzene, pyrrole, and indole derivatives as the nucleophiles, benzo[c]-, pyrrolo[2,3-c]-, and indolo[2,3-c]carbazoles were produced, respectively. The reaction proceeded through pyrrole and benzene ring construction accompanied by the formation of two carbon–carbon and one carbon–nitrogen bond and the cleavage of two aromatic C–H bonds. The mechanism of the reaction

  金催化的带有叠氮基的共轭炔与芳烃的环化得到环化的[ c ]咔唑。使用苯、吡咯和吲哚衍生物作为亲核试剂，分别制备苯并[ c ]-、吡咯并[2,3- c ]-和吲哚[2,3- c ]咔唑。该反应通过吡咯和苯环的构建进行，并伴随着两​​个碳-碳键和一个碳-氮键的形成以及两个芳香族C-H键的断裂。通过密度泛函理论计算研究了与吡咯的反应机理。N , N'-二甲基化吲哚并[2,3- c ]咔唑在电解时表现出紫外-可见-近红外和荧光光谱的双重变化。
• ANTIBACTERIAL AGENTS
  申请人：Andersen Niels H.

  公开号：US20080269221A1

  公开（公告）日：2008-10-30

  Antibacterial compounds of formula I are provided: As well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  提供化学式I的抗菌化合物：以及立体异构体，药学上可接受的盐，酯和前药; 包含这些化合物的制药组合物; 通过给予这些化合物的途径治疗细菌感染的方法; 以及制备这些化合物的工艺。
• Antibacterial Agents
  申请人：Andersen Niels H.

  公开号：US20100324025A1

  公开（公告）日：2010-12-23

  Antibacterial compounds of formula I are provided: As well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

  提供公式I的抗菌化合物：以及其对映异构体，药学上可接受的盐，酯和前药；包含这些化合物的制药组合物；通过给予这些化合物的途径治疗细菌感染的方法；以及制备这些化合物的过程。