4-(1H-imidazol-1-yl)benzoyl chloride | 125234-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(1H-imidazol-1-yl)benzoyl chloride
• 英文别名: 4-(imidazol-1-yl)benzoyl chloride；4-imidazol-1-ylbenzoyl chloride
• CAS: 125234-35-7
• 化学式: C₁₀H₇ClN₂O
• 分子量: 206.631
• InChiKey: XOEOUOZYJGZJLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(1H-imidazol-1-yl)benzoyl chloride 在 silver tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 72.0h， 生成 [Ru(2,2′;6′,2″-terpyridine)(4,4′-di-tert-butyl-2,2′-bipyridine)(N-hydroxy-4-(1H-imidazol-1-yl)benzamide)][tetrafluoroborate]₂
  参考文献：
  名称：

  Hydroxamate Anchors for Improved Photoconversion in Dye-Sensitized Solar Cells

  摘要：

  We present the first analysis of performance of hydroxamate linkers as compared to carboxylate and phosphonate groups when anchoring ruthenium-polypyriclyl dyes to TiO2 surfaces in dye-sensitized solar cells (DSSCs). The study provides fundamental insight into structure/function relationships that are critical for cell performance. Our DSSCs have been produced by using newly synthesized dye molecules and characterized by combining measurements and simulations of experimental current density-voltage (J-V) characteristic curves. We show that the choice of anchoring group has a direct effect on the overall sunlight-to-electricity conversion efficiency (eta), with hydroxamate anchors showing the best performance. Solar cells based on the pyridyl-hydroxamate complex exhibit higher efficiency since they suppress electron transfer from the photoanode to the electrolyte and have superior photoinjection characteristics. These findings suggest that hydroxamate anchoring groups should particularly valuable in DSSCs and photocatalytic applications based on molecular adsorbates covalently bound to semiconductor surfaces In contrast, analogous acetylacetonate anchors might undergo decomposition under similar conditions suggesting limited potential in future applications.

  DOI：

  10.1021/ic4010856
• 作为产物：
  描述：

  4-(1H-咪唑-1-基)苯甲酸 以 氯化亚砜 、 正己烷 为溶剂， 生成 4-(1H-imidazol-1-yl)benzoyl chloride
  参考文献：
  名称：

  Tricyclic vasopressin agonists

  摘要：

  这项发明涉及从一般式(I)的化合物中选出的新化合物，或其药用可接受的盐、酯或前药形式：其中D、E和G为N或CH，它们作为抗利尿素激动剂，可用于治疗疾病，如尿崩症、夜尿症、夜尿频、尿失禁、出血和凝血障碍，以及暂时延迟排尿的无能力，以及用于相同目的的制药组合物和方法。

  公开号：

  US06511974B1

文献信息

• Benzoheterocyclic derivatives
  申请人：Otsuka Pharmaceuticals Co., Ltd.

  公开号：US06335327B1

  公开（公告）日：2002-01-01

  A benzoheterocyclic derivative of the following formula [1]: and pharmaceutically acceptable salts thereof, which show excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as a vasopressin antagonist, vasopressin agonist or oxytocin antagonist.

  以下是该句子的中文翻译： 一种苯并杂环衍生物，其化学式如下： 及其药用盐，表现出优异的抗加压素活性、加压素激动活性和催产素拮抗活性，可用作加压素拮抗剂、加压素激动剂或催产素拮抗剂。
• Cardiotonic alkanoyl and aroyl oxazolones
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04866182A1

  公开（公告）日：1989-09-12

  Alkanoyl or aroyl oxazolones enhance myocardial contractile force and are useful as cardiotonics in the treatment of heart failure.

  酰基或芳酰噁唑酮增强心肌收缩力，在心力衰竭治疗中作为心力药物是有用的。
• Vasopressin agonist formulation and process
  申请人：American Cyanamid Company

  公开号：US06831079B1

  公开（公告）日：2004-12-14

  This invention provides novel formulations for vasopressin agonist compounds, or a pharmaceutically acceptable salt thereof, having the general structure: and processes for making them, the formulations comprising from about 1% to about 20% of active ingredient, from about 1% to about 18% of a surfactant component, from about 50% to about 80% of a component of one or more polyethylene glycols, from about 1% to about 20% of a component of one or more sucrose fatty acid esters and/or polyvinylpyrrolidone and, optionally, one or more preservatives or antioxidants.

  本发明提供了一种新型的加压素激动剂化合物的配方，或其药学上可接受的盐，其结构通式为：并提供制备它们的方法，所述配方包括约1％至约20％的活性成分，约1％至约18％的表面活性剂成分，约50％至约80％的一种或多种聚乙二醇成分，约1％至约20％的一种或多种蔗糖脂肪酸酯和/或聚乙烯吡咯烷酮成分，并且可以选择地加入一种或多种防腐剂或抗氧化剂。
• Pesticidal Carboxamides
  申请人：Mihara Jun

  公开号：US20120149910A1

  公开（公告）日：2012-06-14

  The object of the present invention is to provide novel carboxamides which exhibit an excellent pesticidal activity as pesticides. Disclosed are the carboxamides represented by the following Formula (I): wherein each substituent is as defined in the specification, and use thereof as pesticides and animal parasite controlling agents.

  本发明的目的是提供一种新型的羧酰胺，作为杀虫剂表现出优异的杀虫活性。本发明揭示的是由下式（I）表示的羧酰胺，其中每个取代基如规范中所定义，并将其用作杀虫剂和动物寄生虫控制剂。
• Acylglycinamides as inhibitors of glycine transporter type 1
  作者：Richard Blunt、Roderick Porter、Amanda Johns、David Nash、Gemma Puckey、Paul Wyman、Hugh Herdon、Simon Teague、Victoria Hadden、Stefano Fontana、Laurie Gordon

  DOI：10.1016/j.bmcl.2011.07.096

  日期：2011.10

  A screening hit was used as the basis for the core structure of a new series of acylglycinamide GlyT-1 inhibitors. Investigation of the SAR around four areas of diversity used facile chemistry to prepare compounds quickly. By focussing on reducing the lipophilicity and improving the aqueous solubility in the series we were able to prepare a compound (17e) with a good level of activity at GlyT-1, selectivity over GlyT-2 and moderate oral bioavailability. (C) 2011 Elsevier Ltd. All rights reserved.