2-bromo-5-(methoxymethyl)thiophene | 82830-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-bromo-5-(methoxymethyl)thiophene
• 英文别名: 2-bromo-5-methoxymethyl-thiophene；2-bromo-5-[(methyloxy)methyl]thiophene；2-Methoxymethyl-5-brom-thiophen
• CAS: 82830-92-0
• 化学式: C₆H₇BrOS
• 分子量: 207.091
• InChiKey: QSQQAKKFHNTDAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-5-(methoxymethyl)thiophene 、 N,N-二甲基甲酰胺 在 正丁基锂 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 、 正己烷 为溶剂， 反应 0.03h， 以31%的产率得到2-甲酰基-5-(甲氧基甲基)噻吩
  参考文献：
  名称：

  [EN] ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES
  [FR] AGENTS ANTIBACTÉRIENS : DÉRIVÉS ARYL MYXOPYRONINES

  摘要：

  该发明提供了以下公式的化合物：[公式 Ia、Ib 和 Ic] 及其盐，其中变量如规范中所述，以及包含公式 Ia-Ic 化合物的组合物、制备这种化合物的方法以及使用这种化合物的方法，例如作为细菌RNA聚合酶的抑制剂和抗菌剂。

  公开号：

  WO2013192352A1
• 作为产物：
  描述：

  5-溴噻吩-2-甲醛 在 sodium tetrahydroborate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 5.33h， 生成 2-bromo-5-(methoxymethyl)thiophene
  参考文献：
  名称：

  WO2008/118724

  摘要：

  公开号：

文献信息

• Pd-Catalyzed Dearomative Three-Component Reaction of Bromoarenes with Diazo Compounds and Allylborates
  作者：Masaaki Komatsuda、Hiroki Kato、Kei Muto、Junichiro Yamaguchi

  DOI：10.1021/acscatal.9b03461

  日期：2019.10.4

  A catalytic dearomative three-component reaction of bromoarenes with TMS-diazomethane and allyl borate was developed. The key of this assembling reaction is the use of a diazo compound to generate a Pd-π-benzyl intermediate through a Pd-carbene species. This method allowed for a dearomative functionalization, using arenes as limiting reagents. Heteroaryl bromides were also applicable to give dearomatized

  建立了溴代芳烃与TMS-重氮甲烷和硼酸烯丙酯的催化脱芳香三组分反应。该组装反应的关键是使用重氮化合物通过Pd-卡宾物质生成Pd-π-苄基中间体。该方法允许使用芳烃作为限制试剂进行脱芳香化功能化。杂芳基溴化物也可用于在反应条件下产生脱芳构结构。
• Silicon Compound Containi-Electron Conjugated-System Molecule and Process for Producing the Same
  申请人：Nakagawa Masatoshi

  公开号：US20070287848A1

  公开（公告）日：2007-12-13

  A π-electron conjugate molecule-containing silicon compound represented by the formula (I): wherein R1 represents an organic group obtained by combining two or more units constituting plural π-electron conjugate systems, R2 represents a hydrophobic group and X1 to X3, which may be the same or different, respectively represent a group providing a hydroxyl group when it is hydrolyzed or a hydrogen atom.

  一种含有π-电子共轭分子的硅化合物，其化学式表示为(I)：其中，R1代表由构成多个π-电子共轭系统的两个或更多单元组合而成的有机基团，R2代表疏水基团，X1至X3分别可以相同或不同，代表在水解时提供羟基的基团或氢原子。
• INDOLE CARBOXAMIDES AS IKK2 INHIBITORS
  申请人：Boehm Jeffrey Charles

  公开号：US20120040958A1

  公开（公告）日：2012-02-16

  The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲哚羧酰胺化合物。具体而言，本发明涉及符合式(I)的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• Indole carboxamides as IKK2 inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US08071584B2

  公开（公告）日：2011-12-06

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型的吲哚羧酰胺衍生物。具体而言，本发明涉及式（I）所示的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明所述的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物抑制IKK2活性和治疗与之相关的疾病的方法。
• ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES
  申请人：RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY

  公开号：US20150197512A1

  公开（公告）日：2015-07-16

  The invention provides compounds of formula la, lb and Ic: [Formula Ia, Ib, and Ic] and salts thereof, wherein variables are as described in the specification, as well as compositions comprising a compound of formula Ia-Ic, methods of making such compounds, and methods of using such compounds, e.g., as inhibitors of bacterial RNA polymerase and as antibacterial agents.

  本发明提供了公式la、lb和Ic的化合物：[公式Ia、Ib和Ic]及其盐，其中变量如规范所述，以及包含化合物Ia-Ic的组合物，制备这种化合物的方法和使用这种化合物的方法，例如作为细菌RNA聚合酶的抑制剂和抗菌剂。

表征谱图