2-(t-butyl)-4-chloro-5-[(4-(1,3-dioxolan-2-yl)phenyl)methoxy]-2-hydropyridazin-3-one | 1323347-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(t-butyl)-4-chloro-5-[(4-(1,3-dioxolan-2-yl)phenyl)methoxy]-2-hydropyridazin-3-one
• 英文别名: 2-Tert-butyl-4-chloro-5-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]pyridazin-3-one
• CAS: 1323347-28-9
• 化学式: C₁₈H₂₁ClN₂O₄
• 分子量: 364.829
• InChiKey: LHUDFFWVULZGCX-UHFFFAOYSA-N

物化性质

• 沸点：
  516.5±60.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(t-butyl)-4-chloro-5-[(4-(1,3-dioxolan-2-yl)phenyl)methoxy]-2-hydropyridazin-3-one 在 4-二甲氨基吡啶 、 tetraethylammonium [18F]fluoride 、 二异丁基氢化铝 、 四乙基碳酸氢铵 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 23.17h， 生成 (2-tert-butyl-4-chloro-5-(4-2-(¹⁸F)fluoroethoxymethyl)-benzyloxy)-2H-pyridazin-3-one
  参考文献：
  名称：

  [EN] METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF
  [FR] PROCEDES ET APPAREIL POUR EFFECTUER LA SYNTHESE D'AGENTS D'IMAGERIE ET LEURS INTERMEDIAIRES

  摘要：

  公开号：

  WO2011097649A3
• 作为产物：
  描述：

  对甲酰基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 苄基三乙基氯化铵 、 原甲酸三乙酯 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 3.08h， 生成 2-(t-butyl)-4-chloro-5-[(4-(1,3-dioxolan-2-yl)phenyl)methoxy]-2-hydropyridazin-3-one
  参考文献：
  名称：

  [EN] METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF
  [FR] PROCEDES ET APPAREIL POUR EFFECTUER LA SYNTHESE D'AGENTS D'IMAGERIE ET LEURS INTERMEDIAIRES

  摘要：

  公开号：

  WO2011097649A3

文献信息

• COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US20150196672A1

  公开（公告）日：2015-07-16

  The present invention provides compounds with imaging moieties for imaging a subject. The present invention also relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor may be converted to an imaging agent using the methods described herein. In some cases, a composition or plurality of imaging agents is enriched in 18 F. In some cases, an imaging agent may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs.

  本发明提供了具有成像基团的化合物，用于对受试者进行成像。本发明还涉及用于合成和使用成像试剂或其前体的系统、组合物和方法。成像试剂前体可以使用本文所述的方法转化为成像试剂。在某些情况下，组合物或多种成像试剂富集于 18 F。在某些情况下，成像试剂可用于成像受试者的感兴趣区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。
• METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF
  申请人：Cesati Richard R.

  公开号：US20130064769A1

  公开（公告）日：2013-03-14

  The present invention generally relates to methods and system for the synthesis of imaging agents, and precursors thereof. The methods may exhibit improved yields and may allow for the large-scale synthesis of imaging agents, including imaging agents comprising a radioisotope (e.g., 18 F). Various embodiments of the invention may be useful as sensors, diagnostic tools, and the like. In some cases, methods for evaluating perfusion, including myocardial perfusion, are provided. Synthetic methods of the invention have also been incorporated into an automated synthesis unit to prepare and purify imaging agents that comprise a radioisotope. In some embodiments, the present invention provides a novel methods and systems comprising imaging agent 1, including methods of imaging in a subject comprising administering a composition comprising imaging agent 1 to a subject by injection, infusion, or any other known method, and imaging the area of the subject wherein the event of interest is located.

  本发明通常涉及用于合成成像剂及其前体的方法和系统。这些方法可能表现出更高的产率，并且可以允许大规模合成成像剂，包括含有放射性同位素（例如18F）的成像剂。发明的各种实施例可用作传感器、诊断工具等。在某些情况下，还提供了评估灌注，包括心肌灌注的方法。本发明的合成方法还已纳入自动合成装置中，以制备和纯化包含放射性同位素的成像剂。在某些实施例中，本发明提供了一种包括成像剂1的新方法和系统，包括通过注射、输注或任何其他已知方法向受试者施用含有成像剂1的组合物，并成像事件感兴趣的区域。
• AUTOMATED REACTION SYSTEM, CASSETTE AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS
  申请人：Lantheus Medical Imaging, Inc.

  公开号：EP3323810A2

  公开（公告）日：2018-05-23

  The present invention generally relates to methods and system for the synthesis of imaging agents, and precursors thereof. The methods may exhibit improved yields and may allow for the large-scale synthesis of imaging agents, including imaging agents comprising a radioisotope (e.g., 18F). Various embodiments of the invention may be useful as sensors, diagnostic tools, and the like. In some cases, methods for evaluating perfusion, including myocardial perfusion, are provided. Synthetic methods of the invention have also been incorporated into an automated synthesis unit to prepare and purify imaging agents that comprise a radioisotope. In some embodiments, the present invention provides a novel methods and systems comprising imaging agent 1, including methods of imaging in a subject comprising administering a composition comprising imaging agent 1 to a subject by injection, infusion, or any other known method, and imaging the area of the subject wherein the event of interest is located.

  本发明一般涉及成像剂及其前体的合成方法和系统。这些方法可提高产量，并可大规模合成成像剂，包括包含放射性同位素（如 18F）的成像剂。本发明的各种实施方案可用作传感器、诊断工具等。在某些情况下，本发明提供了评估灌注（包括心肌灌注）的方法。本发明的合成方法也已纳入自动合成装置，用于制备和纯化包含放射性同位素的成像剂。在一些实施方案中，本发明提供了一种包含成像剂 1 的新型方法和系统，包括在受试者中成像的方法，包括通过注射、输注或任何其他已知方法向受试者施用包含成像剂 1 的组合物，并对受试者感兴趣事件所在区域成像。
• Methods and apparatus for synthesizing imaging agents, and intermediates thereof
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US10022462B2

  公开（公告）日：2018-07-17

  The present invention generally relates to methods and system for the synthesis of imaging agents, and precursors thereof. The methods may exhibit improved yields and may allow for the large-scale synthesis of imaging agents, including imaging agents comprising a radioisotope (e.g., 18F). Various embodiments of the invention may be useful as sensors, diagnostic tools, and the like. In some cases, methods for evaluating perfusion, including myocardial perfusion, are provided. Synthetic methods of the invention have also been incorporated into an automated synthesis unit to prepare and purify imaging agents that comprise a radioisotope. In some embodiments, the present invention provides a novel methods and systems comprising imaging agent 1, including methods of imaging in a subject comprising administering a composition comprising imaging agent 1 to a subject by injection, infusion, or any other known method, and imaging the area of the subject wherein the event of interest is located.

  本发明一般涉及成像剂及其前体的合成方法和系统。这些方法可提高产量，并可大规模合成成像剂，包括包含放射性同位素（如 18F）的成像剂。本发明的各种实施方案可用作传感器、诊断工具等。在某些情况下，本发明提供了评估灌注（包括心肌灌注）的方法。本发明的合成方法也已纳入自动合成装置，用于制备和纯化包含放射性同位素的成像剂。在一些实施方案中，本发明提供了一种包含成像剂 1 的新型方法和系统，包括在受试者中成像的方法，包括通过注射、输注或任何其他已知方法向受试者施用包含成像剂 1 的组合物，并对受试者感兴趣事件所在区域成像。
• METHODS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF
  申请人：Lantheus Medical Imaging, Inc.

  公开号：EP2534136B1

  公开（公告）日：2017-09-06