1-(2-氯-6-甲氧基苯基)乙酮 | 881883-32-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氯-6-甲氧基苯基)乙酮
• 英文名称: 1-(2-Chloro-6-methoxy-phenyl)-ethanone
• 英文别名: 1-(2-Chloro-6-methoxyphenyl)ethanone；1-(2-chloro-6-methoxyphenyl)ethanone
• CAS: 881883-32-5
• 化学式: C₉H₉ClO₂
• mdl: MFCD24847834
• 分子量: 184.622
• InChiKey: BTNKHLHHSHJZHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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：

  1-(2-氯-6-甲氧基苯基)乙酮 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-(2-氯-6-羟基苯基)乙酮
  参考文献：
  名称：

  Chromenones as potent bradykinin B1 antagonists

  摘要：

  A series of fused 6,6-bicyclic chromenones was investigated for activity against the bradykinin B1 receptor. SAR studies based on a pharmacophore model revealed compounds with high affinity for both human and rabbit B1. These compounds demonstrated favorable pharmacokinetic properties and 5-chlorochromenone 15 was efficacious in a carrageenan-induced mechanical hyperalgesia model for chronic pain. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.068
• 作为产物：
  描述：

  2-氯-6-甲氧基氰苯 、 甲基溴化镁 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 26.0h， 生成 1-(2-氯-6-甲氧基苯基)乙酮
  参考文献：
  名称：

  Chromenones as potent bradykinin B1 antagonists

  摘要：

  A series of fused 6,6-bicyclic chromenones was investigated for activity against the bradykinin B1 receptor. SAR studies based on a pharmacophore model revealed compounds with high affinity for both human and rabbit B1. These compounds demonstrated favorable pharmacokinetic properties and 5-chlorochromenone 15 was efficacious in a carrageenan-induced mechanical hyperalgesia model for chronic pain. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.068

文献信息

• Substituted (2-phenoxyphenyl)acetic acids with antiinflammatory activity. 1
  作者：David C. Atkinson、Keith E. Godfrey、Bernard Meek、John F. Saville、Michael R. Stillings

  DOI：10.1021/jm00364a004

  日期：1983.10

  The synthesis and antiinflammatory activity of a series of substituted (2-phenoxyphenyl)acetic acids are described. Initial screening in the adjuvant arthritis test showed that halogen substitution in the phenoxy ring enhanced activity considerably. Ulcerogenic potential, as measured by the minimum ulcerogenic dose (MUD), was low in almost all the acids tested. [2-(2,4-Dichlorophenoxy)phenyl]acetic

  描述了一系列取代的（2-苯氧基苯基）乙酸的合成和抗炎活性。在佐剂关节炎试验中的初步筛选显示苯氧基环中的卤素取代大大增强了活性。用最小致溃疡剂量（MUD）衡量的致溃疡潜力在几乎所有测试的酸中均很低。[2-（2,4-二氯苯氧基）苯基]乙酸具有最有利的效价和低毒性，包括致溃疡性，该化合物现已用于治疗。
• [EN] SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLE SUBSTITUÉS ET LEUR UTILISATION
  申请人：HELIOS HUAMING BIOPHARMA CO LTD

  公开号：WO2022078294A1

  公开（公告）日：2022-04-21

  The present disclosure provides substituted heteroaryl compounds and use thereof, also provides compounds or pharmaceutically acceptable salts or solvates thereof as PAD inhibitors and their use in treatment of a disease or disorder.

  本公开提供了取代的杂环芳香化合物及其用途，还提供了作为PAD抑制剂的化合物或其药学上可接受的盐或溶剂，并将其用于治疗疾病或障碍。
• Oxone as an Inexpensive, Safe, and Environmentally Benign Oxidant for C−H Bond Oxygenation
  作者：Lopa V. Desai、Hasnain A. Malik、Melanie S. Sanford

  DOI：10.1021/ol0530272

  日期：2006.3.1

  This paper describes the application of peroxide-based oxidants in the Pd(OAc)(2)-catalyzed acetoxylation and etherification of arene and alkane C-H bonds. Oxone in acetic acid and/or methanol proved particularly effective, and these transformations were applied to a wide variety of substrates.
• A One-Pot Approach to Construct 3-(2-Methoxypyridin-3-yl)-4H-chromen-4-ones via Meinwald Rearrangement/Intramolecular Demethylation Annulation of Epoxides
  作者：Fan Yang、Ying Zhang、Min-Qi Hu、Kai-Li Dai、Li-Fang Yu、Ting Liu、Jie Tang

  DOI：10.3987/com-21-14459

  日期：——
• I2-DMSO mediated N1/C5 difunctionalization of anthranils with aryl methyl ketones: A facile access to multicarbonyl compounds
  作者：Yong-Xing Tang、Shi-Yi Zhuang、Jin-Yi Liu、Xiang-Long Chen、You Zhou、Yan-Dong Wu、An-Xin Wu

  DOI：10.1016/j.tet.2022.133057

  日期：2022.11