benzofuran-7-carboxylic acid chloride | 863553-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: benzofuran-7-carboxylic acid chloride
• 英文别名: benzofuran-7-carbonyl chloride；1-Benzofuran-7-carbonyl chloride
• CAS: 863553-88-2
• 化学式: C₉H₅ClO₂
• 分子量: 180.59
• InChiKey: VUUMGPQYZQPVJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  benzofuran-7-carboxylic acid chloride 在 臭氧 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Abiotic Metallofoldamers as Electrochemically Responsive Molecules

  摘要：

  Described are the design, synthesis, and study of nonbiological molecules based on salophen and salen ligands that fold into single-stranded helices in the presence of either Ni(II) or Cu(II). X-ray diffraction studies show that the materials fold into helical structures in the solid state, and a series of NMR studies provide strong evidence that the folded structures are conserved in solution. Metal coordination is required for folding, as NMR and X-ray show that the free ligands do not adopt helical structures. Two of the racemic metallofoldamers spontaneously resolve during crystallization from CHCl3/acetonitrile, and CD spectroscopy and optical rotation show that the resolved, crystalline materials racemize quickly when dissolved at 5 C. This shows that the secondary structures can reorganize easily and can, therefore, provide the basis for responsive materials. By comparison, an analogue from enantiomerically pure (R,R)(-)-trans-cyclohexanediamine showed a strong CD signal and a large specific rotation. Electrochemical experiments show that a structural reorganization occurs upon metal-centered reduction of a Cu(II)-containing foldamer. When the reduction is carried out in the presence of coordinating ligands, it is proposed that apical binding of those ligands gives square pyramidal complexes. Semiempirical (AM1) calculations support that the helical structure would be disrupted by the reduction to Cu(I) with concomitant reorganization to a square pyramidal complex.

  DOI：

  10.1021/ja050886c
• 作为产物：
  描述：

  3-烯丙基-2-羟基苯甲酸甲酯 在 氢氧化钾 、 氯化亚砜 、 二甲基硫 、 磷酸 、 臭氧 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 为溶剂， 反应 5.67h， 生成 benzofuran-7-carboxylic acid chloride
  参考文献：
  名称：

  Aminoalkylindoles: Structure-Activity Relationships of Novel Cannabinoid Mimetics

  摘要：

  Aminoalkylindoles (AAIs) are a novel series of cannabinoid receptor ligands. In this report we disclose the structural features of AAIs which are important for binding to this receptor as measured by inhibition of binding of [H-3]Win 55212-2 (5). Functional activity in the mouse vas deferens is also noted and used to distinguish agonists from potential antagonists. The key structural features for potent cannabinoid activity in this series are a bicyclic (naphthyl) substituent at the 3-position, a small (II) substituent at the 2-position, and an aminoethyl (morpholinoethyl) substituent at the 1-position. A 6-bromo analog, Win 54461 (31), has been identified as a potential cannabinoid receptor antagonist. Modeling experiments were done to develop a pharmacophore and also to compare AAI structures with those of classical cannabinoids. The fact that the cannabinoid AAIs arose out of work on a series of cyclooxygenase inhibitors makes sense now that an endogenous cannabinoid ligand has been identified which is a derivative of arachidonic acid. Because of their unique structures and physical properties, AAIs provide useful tools to study the structure and function of the cannabinoid receptor(s).

  DOI：

  10.1021/jm00016a013

文献信息

• Synthese neuer 7-Benzofuranmethanamine als heterocyclische Analoga des SqualenepoxidasehemmersButenafine
  作者：Peter Stanetty、Herbert Koller、Gerhard Pürstinger、Silvia Grubner

  DOI：10.1002/ardp.19933260608

  日期：——

  der Carboxamide 4a‐f und 5a‐d aufgebaut. Aus praktischen Erwägungen wurde für die Darstellung der 2,3‐Dihydro‐2‐methyl‐7‐benzofuranmethanamine 6h‐k mit variiertem N‐Substitutionsmuster die Alkylierung des N‐Methyl‐benzofuranmethanamins 6g mit den vorgefertigten Aralkylbromiden 9a‐d bevorzugt.

  通过甲酰胺 4a-f 和 5a-d 的 RedAlR 还原，由相应的 (2,3-二氢-) 7-苯并呋喃甲酸 1a-f 和 2a-d 合成选定的标题化合物 (6a-f, 7a-d)。出于实际原因，N-甲基-苯并呋喃甲胺 6g 与制备的芳烷基溴化物 9a-d 的烷基化优选用于制备具有不同 N-的 2,3-二氢-2-甲基-7-苯并呋喃甲胺 6h-k。替代模式。
• 喹啉类化合物、其制备方法和用途
  申请人：上海阳帆医药科技有限公司

  公开号：CN112574175A

  公开（公告）日：2021-03-30

  本发明涉及喹啉类化合物、其制备方法和用途。具体地，本发明提供了一类新型喹啉类化合物，及其药学上可接受的盐、制备方法和其在制备治疗结核杆菌感染性疾病、特别是耐药结核杆菌引起的感染性疾病的药物中的用途。本发明喹啉类化合物或其药学上可接受的盐，具有很好的抗结核杆菌活性，特别是对耐药结核杆菌具有很强的活性。
• Asymmetric Ruthenium‐Catalyzed C−H Activation by a Versatile Chiral‐Amide‐Directing Strategy
  作者：Wenkun Chen、Jijun Jiang、Jun Wang

  DOI：10.1002/anie.202316741

  日期：2024.2.5

  A versatile chiral amide directing group has been studied in the context of the ruthenium(II)-catalyzed asymmetric C−H activation. Six transformations have been achieved, affording a series of valuable chiral products. With this tool, concise syntheses of many natural products and biologically active compounds (e.g., Montroumarin, Cyclosporone E, Cyclosporone Q, Concentricolide, Chuangxinol, and Eleutherol)

  在钌 (II) 催化的不对称 C−H 活化的背景下研究了一种多功能手性酰胺导向基团。已实现六次转化，提供了一系列有价值的手性产物。利用该工具，完成了许多天然产物和生物活性化合物（例如 Montroumarin、Cyclosporone E、Cyclosporone Q、Concentricolide、Chuangxinol 和 Eleutherol）的简明合成。
• [EN] QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] COMPOSÉS QUINOLÉINE, LEUR PROCÉDÉ DE PRÉPARATION ET UTILISATION ASSOCIÉE<br/>[ZH] 喹啉类化合物、其制备方法和用途
  申请人：SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE TECH CO LTD

  公开号：WO2021057190A1

  公开（公告）日：2021-04-01

  涉及喹啉类化合物、其制备方法和用途。具体地，提供了一类新型喹啉类化合物，及其药学上可接受的盐、制备方法和其在制备治疗结核杆菌感染性疾病、特别是耐药结核杆菌引起的感染性疾病的药物中的用途。喹啉类化合物或其药学上可接受的盐，具有很好的抗结核杆菌活性，特别是对耐药结核杆菌具有很强的活性。
• Discovery of thiadiazole amides as potent, S1P3-sparing agonists of sphingosine-1-phosphate 1 (S1P1) receptor
  作者：Heng Xu、Haibo Zhang、Linbo Luan、Yan Xu、Chengyong Li、Yonghui Wang、Fangbin Han、Ting Yang、Feng Ren、Jia-Ning Xiang、John D. Elliott、Yonggang Zhao、Taylor B. Guo、Hongtao Lu、Wei Zhang、David Hirst、Matthew Lindon、Xichen Lin

  DOI：10.1016/j.bmcl.2012.02.016

  日期：2012.4

  High-throughput screening of GSK compound collection led to the discovery of a novel series of thiadiazole amides as potent and S1P(3)-sparing sphingosine-1-phosphate 1 (S1P(1)) receptor agonists. Synthesis, structure and activity relationship, selectivity, and some developability properties are described. (C) 2012 Elsevier Ltd. All rights reserved.