2-氯-4-甲氧基苯甲酰氯 | 50424-99-2

• 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: 2-氯-4-甲氧基苯甲酰氯
• 英文名称: 2-chloro-4-methoxybenzoyl chloride
• CAS: 50424-99-2
• 化学式: C₈H₆Cl₂O₂
• 分子量: 205.04
• InChiKey: SYAIPNCFYHEQMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-4-甲氧基苯甲酰氯 在 镍 盐酸 、 四甲基乙二胺 、 氢气 、 仲丁基锂 、 sodium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 33.5h， 生成 2-(2,2-diethoxyethyl)-1-(aminomethyl)-1,3-dihydro-4-chloro-6-methoxy-isoindol-3(1H)-one
  参考文献：
  名称：

  Discovery of (R)-9-Ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a Selective, Orally Active Agonist of the 5-HT_2C Receptor

  摘要：

  Robust pharmaceutical treatment of obesity has been limited by the undesirable side-effect profile of currently marketed therapies. This paper describes the synthesis and optimization of a new class of pyrazinoisoindolone-containing, selective 5-HT2C agonists as antiobesity agents. Key to optimization of the pyrazinoisoindolone core was the identification of the appropriate substitution pattern and functional groups which led to the discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one (58), a 5-HT2C agonist with > 300-fold functional selectivity over 5-HT2B and > 70-fold functional selectivity over 5-HT2A. Oral dosing of 58 reduced food intake in an acute rat feeding model, which could be completely reversed by a selective 5-HT2C antagonist and caused a reduction in body weight gain in a 4-day rat model.

  DOI：

  10.1021/jm0612968
• 作为产物：
  描述：

  4-羟基-2-氯苯乙酮 在 sodium hydroxide 、 氯化亚砜 、 溴 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 2-氯-4-甲氧基苯甲酰氯
  参考文献：
  名称：

  抗雌激素 N-（4-羟基苯基）-N-（1,1,1-三氟-2-丙基）-4-羟基苯甲酰胺：苯甲酰胺片段邻位疏水残基的影响

  摘要：

  据报道，尝试在 2-resp 中引入疏水残基。N-(4-羟基苯基)-N-(1,1,1-三氟-2-丙基)-4-羟基苯甲酰胺的苯甲酰胺片段的2,6-位获得具有抗雌激素和乳腺肿瘤抑制特性的化合物。在新化合物 2-7 (2; 2 - CH3, 3: 2 - F, 4: 2 - C1, 5: 2 - Br, 6: 2,6 - Cl2, 7: 2 - CF3) 2 中被发现3 作为“真正的”抗雌激素。化合物 4 对 MXT-MC、ER + 的作用最强。

  DOI：

  10.1002/ardp.19903230204

文献信息

• Substituted Spiro-amide Compounds
  申请人：Schunk Stefan

  公开号：US20100249095A1

  公开（公告）日：2010-09-30

  Substituted spiro-amide compounds corresponding to formula I in which R5 through R8, D, X, Y and Z have defined meanings, processes for preparing such spiro-amide compounds, pharmaceutical compositions containing such compounds, and methods of using such spiro-amide compounds for treating and/or inhibiting disorders or disease states mediated at least in part by the bradykinin 1 receptor.

  将与式I相对应的螺环酰胺化合物替代为R5至R8、D、X、Y和Z具有定义含义的过程，用于制备这种螺环酰胺化合物，含有这种化合物的药物组合物，以及使用这种螺环酰胺化合物治疗和/或抑制至少部分由激肽酶1受体介导的疾病或疾病状态的方法。
• [EN] INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM<br/>[FR] INHIBITEURS DE MÉTHIONYL-ARNT SYNTHÉTASE DE TYPE 1 ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV WASHINGTON

  公开号：WO2018237349A1

  公开（公告）日：2018-12-27

  The present disclosure is generally directed to compositions useful in the inhibition of MetRS and methods for treating diseases that are ameliorated by the inhibition of MetRS.

  本公开涉及的是通常用于抑制MetRS的组合物和治疗通过抑制MetRS改善的疾病的方法。
• COMPOUNDS AND THEIR USES AS MIF INHIBITORS
  申请人：Nanjing Immunophage BioTech Co., Ltd.

  公开号：US20210403484A1

  公开（公告）日：2021-12-30

  The present invention provides compounds of Formula I which can be used as macrophage migration inhibitory factor (MIF) inhibitors; methods for the production of the compounds of the invention; pharmaceutical compositions comprising the compounds of the invention; as well as uses and methods for treating a disease mediated by MIF by administering the compounds of the invention.

  本发明提供了一种可以用作巨噬细胞迁移抑制因子（MIF）抑制剂的化合物I的公式；本发明化合物的制备方法；包括本发明化合物的药物组合物；以及通过给予本发明化合物来治疗由MIF介导的疾病的用途和方法。
• Rhodium(III)-Catalyzed [4+2] Annulation via C-H Activation: Synthesis of Multi-Substituted Naphthalenone Sulfoxonium Ylides
  作者：Xiaohan Song、Xu Han、Rui Zhang、Hong Liu、Jiang Wang

  DOI：10.3390/molecules24101884

  日期：——

  A convenient Rh(III)-catalyzed C-H activation and cascade [4+2] annulation for the synthesis of naphthalenone sulfoxonium ylides has been developed. This method features perfect regioselectivity, mild and redox-neutral reaction conditions, and broad substrate tolerance with good to excellent yields. Preliminary mechanistic experiments were conducted and a plausible reaction mechanism was proposed.

  已经开发了一种方便的 Rh(III) 催化的 CH 活化和级联 [4+2] 环化，用于合成萘酮锍叶立德。该方法具有完美的区域选择性、温和且氧化还原中性的反应条件以及广泛的底物耐受性和良好的收率。进行了初步的机理实验，并提出了一个合理的反应机理。新型萘酮锍叶立德可以进一步转化为多取代萘酚，这证明了该方法的实用性。
• Nickel or Phenanthroline Mediated Intramolecular Arylation of sp³ C–H Bonds Using Aryl Halides
  作者：William C. Wertjes、Lydia C. Wolfe、Peter J. Waller、Dipannita Kalyani

  DOI：10.1021/ol402869h

  日期：2013.12.6

  the intramolecular arylation of sp3 C–H bonds adjacent to nitrogen using aryl halides is described. Arylation was accomplished using either Ni(COD)2 or 1,10-phenanthroline in substoichiometric amounts, and the reaction conditions were applied to a variety of electronically differentiated benzamide substrates. Preliminary studies suggest a mechanism involving aryl and alkyl radical intermediates.

  描述了使用芳基卤化物开发与氮相邻的 sp 3 C-H 键的分子内芳基化。使用亚化学计量量的Ni(COD) 2或 1,10-菲咯啉完成芳基化，并将反应条件应用于各种电子分化的苯甲酰胺底物。初步研究表明涉及芳基和烷基自由基中间体的机制。