3-氨基苯并[B]噻吩-2-甲酸甲酯 | 6132-41-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基苯并[B]噻吩-2-甲酸甲酯
• 中文别名: 3-氨基苯并[b]噻吩-2-羧酸甲酯
• 英文名称: carbonic acid methyl ester-(2-nitro-phenyl ester)
• 英文别名: Kohlensaeure-methylester-(2-nitro-phenylester)；Methyl-(2-nitro-phenyl)-carbonat；Methyl 2-nitrophenyl carbonat；Methyl 2-nitrophenyl carbonate；methyl (2-nitrophenyl) carbonate
• CAS: 6132-41-8
• 化学式: C₈H₇NO₅
• 分子量: 197.147
• InChiKey: QJWHNEPTWBAGED-UHFFFAOYSA-N

物化性质

• 沸点：
  133-134 °C(Press: 4 Torr)
• 密度：
  1.357±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-氨基苯并[B]噻吩-2-甲酸甲酯 在 盐酸 、 tin 作用下， 生成 carbonic acid-(2-amino-phenyl ester)-methyl ester; hydrochloride
  参考文献：
  名称：

  Upson, American Chemical Journal, 1904, vol. 32, p. 15

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium o-nitrophenate 、 氯甲酸甲酯 在 丙酮 作用下， 生成 3-氨基苯并[B]噻吩-2-甲酸甲酯
  参考文献：
  名称：

  Kinugawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 931

  摘要：

  DOI：

文献信息

• BIODEGRADABLE ORGANIC RADICAL-FUNCTIONALIZED POLYCARBONATES FOR MEDICAL APPLICATIONS
  申请人：International Business Machines Corporation

  公开号：US20160220705A1

  公开（公告）日：2016-08-04

  Paramagnetic, amphiphilic, biocompatible polymers were prepared comprising a carbonate repeat unit bearing a paramagnetic organic radical, more specifically a nitroxyl radical. The radical polymers can be produced in one step from a precursor polymer bearing an active ester side chain by treating the precursor polymer with a radical-bearing nucleophile. The precursor polymer can be prepared by organocatalyzed catalyzed ring opening polymerization (ROP) of a cyclic carbonate monomer bearing an active ester side chain. The radical polymers can be non-toxic and partially biodegradable. The radical polymers have utility as contrast enhancing agents in a medical imaging application and/or as therapeutic agents for treating a medical condition. The radical polymers can also serve as carriers for therapeutic agents (e.g., drugs) and/or medical image enhancing agents (e.g., NIRF dyes).

  具有顺磁性、两性亲疏性、生物相容性的聚合物已经制备好，其中包含一个带有顺磁性有机自由基的碳酸酯重复单元，更具体地说是一个亚硝基自由基。这种自由基聚合物可以通过将带有活性酯侧链的前体聚合物与带有自由基的亲核试剂处理而一步制备而成。前体聚合物可以通过有机催化的环氧化聚合（ROP）来制备，该环氧化单体带有活性酯侧链。这种自由基聚合物可能是无毒且部分可生物降解的。这种自由基聚合物在医学成像应用中可用作增强对比剂，和/或作为治疗医疗状况的治疗剂。这种自由基聚合物还可以作为治疗剂（例如药物）和/或医学图像增强剂（例如NIRF染料）的载体。
• ISOCYANATE PRODUCTION PROCESS
  申请人：Shinohata Masaaki

  公开号：US20110092731A1

  公开（公告）日：2011-04-21

  An object of the present invention is to provide a process that enables isocyanate to be produced stably over a long period of time and at high yield without encountering problems of the prior art during production of isocyanate without using phosgene. The present invention discloses a process for producing an isocyanate by subjecting a carbamic acid ester to a thermal decomposition reaction, including the steps of: recovering a low boiling point component in a form of a gaseous phase component from a thermal decomposition reaction vessel in which the thermal decomposition reaction is carried out; recovering a liquid phase component containing a carbamic acid ester from a bottom of the thermal decomposition reaction vessel; and supplying all or a portion of the liquid phase component to an upper portion of the thermal decomposition reaction vessel.

  本发明的一个目的是提供一种能够在长时间内稳定地高产且不使用光气的情况下生产异氰酸酯的方法，而不会遇到先前生产异氰酸酯时的问题。本发明公开了一种通过将氨基甲酸酯经受热分解反应来生产异氰酸酯的方法，包括以下步骤：从进行热分解反应的反应釜中回收形成气相组分的低沸点组分；从热分解反应釜底部回收含有氨基甲酸酯的液相组分；并将全部或部分液相组分供给至热分解反应釜的上部。
• [EN] DEUTERATED CFTR POTENTIATORS<br/>[FR] POTENTIALISATEURS DE CFTR DEUTÉRÉS
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2014078842A1

  公开（公告）日：2014-05-22

  This invention relates to deuterated compounds of Formula I and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a CFTR potentiator.

  本发明涉及公式I的氘代化合物及其药学上可接受的盐。本发明还提供了包含本发明化合物的组合物，并且提供了使用这些组合物治疗通过给予CFTR增强剂有益治疗的疾病和病状的方法。
• Method for producing an aromatic carbonate
  申请人：Miyake Nobuhisa

  公开号：US20070055042A1

  公开（公告）日：2007-03-08

  A method for producing an aromatic carbonate, comprising: (1) performing a reaction between an organometal compound and carbon dioxide to obtain a reaction mixture containing a dialkyl carbonate formed by the reaction, (2) separating the dialkyl carbonate from the reaction mixture to obtain a residual liquid, (3) reacting the residual liquid with an alcohol to form at least one organometal compound and form water and removing the water from the organometal compound, and (4) reacting the dialkyl carbonate separated in step (2) with an aromatic hydroxy compound to obtain an aromatic carbonate.

  一种生产芳香族碳酸酯的方法，包括：（1）在有机金属化合物和二氧化碳之间进行反应，以获得反应混合物，其中包含通过反应形成的二烷基碳酸酯，（2）从反应混合物中分离出二烷基碳酸酯以获得残留液，（3）将残留液与醇反应，形成至少一种有机金属化合物并形成水，并从有机金属化合物中除去水，（4）将在步骤（2）中分离的二烷基碳酸酯与芳香族羟基化合物反应，以获得芳香族碳酸酯。
• [EN] METHODS OF TREATMENT FOR CYSTIC FIBROSIS<br/>[FR] MÉTHODES DE TRAITEMENT DE LA MUCOVISCIDOSE
  申请人：VERTEX PHARMA

  公开号：WO2022125826A1

  公开（公告）日：2022-06-16

  This application describes methods of treating cystic fibrosis or a CFTR mediated disease comprising administering Compound I or a pharmaceutically acceptable salt thereof. The application also describes pharmaceutical compositions comprising Compound I or a pharmaceutically acceptable salt thereof and optionally comprising one or more additional CFTR modulating agents.

  该申请描述了治疗囊性纤维化或CFTR介导疾病的方法，包括给予化合物I或其药学上可接受的盐。该申请还描述了包括化合物I或其药学上可接受的盐的制药组合物，可选地包括一种或多种额外的CFTR调节剂。