(4-氯-2-硝基苯氧基)乙酸 | 21086-49-7

• 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: (4-氯-2-硝基苯氧基)乙酸
• 中文别名: 2-(4-氯-2-硝基-苯氧基)乙酸
• 英文名称: (4-chloro-2-nitro-phenoxy)-acetic acid
• 英文别名: (4-Chlor-2-nitro-phenoxy)-essigsaeure；2-(2-nitro-4-chlorophenoxy)acetic acid；4-Chlor-2-nitro-phenoxyessigsaeure；(4-Chloro-2-nitrophenoxy)acetic acid；2-(4-chloro-2-nitrophenoxy)acetic acid
• CAS: 21086-49-7
• 化学式: C₈H₆ClNO₅
• mdl: MFCD03422208
• 分子量: 231.592
• InChiKey: JYCUJLCLZHPKMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 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：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  (4-氯-2-硝基苯氧基)乙酸 在 氯化亚砜 作用下， 生成 2-(4-Chloro-2-nitrophenoxy)acetyl chloride
  参考文献：
  名称：

  Studies of O,O-Dimethyl α-(2,4-Dichlorophenoxyacetoxy)ethylphosphonate (HW02) as a New Herbicide. 1. Synthesis and Herbicidal Activity of HW02 and Analogues as Novel Inhibitors of Pyruvate Dehydrogenase Complex

  摘要：

  On the basis of the previous work for optimization of O,O-diethyl alpha-(substituted phenoxyacetoxy)alkylphosphonates, further extensive synthetic modifications were made to the substituents in alkylphosphonate and phenoxy moieties of the title compounds. New O,O-dimethyl alpha-(substituted phenoxyacetoxy)alkylphosphonates were synthesized as potential inhibitors of pyruvate dehydorogenase complex (PDHc). Their herbicidal activity and efficacy in vitro against PDHc were examined. Some of these compounds exhibited significant herbicidal activity and were demonstrated to be effective inhibitors of PDHc from three different plants. The structure-activity relationships of these compounds including previously reported analogous compounds were studied by examining their herbicidal activities. Both inhibitory potency against PDHc and herbicidal activity of title compounds could be increased greatly by optimizing substituent groups of the title compounds. O,O-Dimethyl alpha-(2,4-dichlorophenoxyacetoxy)ethylphosphonate (I-5), which acted as a competitive inhibitor of PDHc with much higher inhibitory potency against PDHc from Pisum sativum and Phaseolus radiatus than from Oryza sativa , was found to be the most effective compound against broadleaf weeds and showed potential utility as herbicide.

  DOI：

  10.1021/jf104247w
• 作为产物：
  描述：

  4-氯-2-硝基苯酚 在 potassium carbonate 、 potassium iodide 、 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 4.0h， 生成 (4-氯-2-硝基苯氧基)乙酸
  参考文献：
  名称：

  Identification of the novel N-phenylbenzenesulfonamide derivatives as potent HIV inhibitors

  摘要：

  Searching for more safe and effective agents for HIV treatments is still an urgent topic worldwide. Based on our continuous modifications on the benzophenone derivatives as HIV-1 reverse transcriptase (RT) inhibitors, a new template bearing N-phenylbenzenesulfonamide (PBSA) structure was designed to enhance the interactions with HIV-1 RT. In this manuscript, a series of PBSA derivatives were synthesized and evaluated for their anti-HIV-1 activity. The preliminary test showed that these compounds were potent to inhibit wild-type HIV-1 with EC50 values ranging of 0.105-14.531 mu mol/L. In particular, compound 13f not only has high anti-HIV-1 activity (0.108 mu mol/L), but also possesses low toxicity with a TI value of 1816.6. Furthermore, the major interactions of the inhibitor 13f with HIV-1 RT were also investigated using the molecular modelling. Our discovered structure-activity relationships (SARs) of these analogues may serve as an important clue for further optimizations. (C) 2014 Yong-Tang Zheng and Xiao-Dong Ma. Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. All rights reserved.

  DOI：

  10.1016/j.cclet.2014.11.004

文献信息

• 7-(.alpha.-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04039536A1

  公开（公告）日：1977-08-02

  This invention is concerned with 7-(.alpha.-substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids, derivatives and non-toxic pharmaceutical salts thereof, which possess antibacterial activity, process for preparation thereof, having the following general formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3 and M are as defined hereinafter.

  这项发明涉及7-(α-取代甘氨基)-3-取代甲基-3-头孢烯-4-羧酸，其衍生物和非毒性药用盐，具有抗菌活性，制备过程如下，具有以下一般公式 ##STR1## 其中R.sub.1，R.sub.2，R.sub.3和M如下所定义。
• Phenoxiacetic acid derivatives
  申请人：Bonnert Victor Roger

  公开号：US20060293352A1

  公开（公告）日：2006-12-28

  The invention relates to certain 2-substituted phenoxyacetic acid derivatives of formula (I), in which the variables are as defined in the claims, useful in the treatment of diseases or conditions in which modulation of the CRTh2 receptor is beneficial, such as asthma and rhinitis.

  本发明涉及公式（I）中某些2-取代的苯氧基乙酸衍生物，其中变量如权利要求所定义，在调节CRTh2受体有益的疾病或病症的治疗中有用，例如哮喘和鼻炎。
• PHENOXIACETIC ACID DERIVATIVES
  申请人：Bonnert Roger Victor

  公开号：US20110281898A1

  公开（公告）日：2011-11-17

  The invention relates to substituted phenoxyacetic acids as useful pharmaceutical compounds for treating respiratory disorders, pharmaceutical compositions containing them, and processes for their preparation.

  本发明涉及用于治疗呼吸系统疾病的取代苯氧乙酸类药物化合物，包含它们的制药组合物以及它们的制备方法。
• 10.1039/d4cc02118e
  作者：Winter, Johannes、Lühr, Susan、Hochadel, Kyra、Gálvez-Vázquez, María de Jesús、Prenzel, Tobias、Schollmeyer, Dieter、Waldvogel, Siegfried R.

  DOI：10.1039/d4cc02118e

  日期：——

  The electrochemical reduction of nitroarenes allows direct access to manifold nitrogen containing heterocycles. This work reports the simple and direct electro-organic synthesis of 18 different examples of 2H,4H-4-hydroxy-1,4-benzoxazin-3-ones in up to 81% yield. The scalability of the method was demonstrated on a gram-scale.

  硝基芳烃的电化学还原允许直接获得多种含氮杂环。这项工作报道了 18 种不同的 2 H ,4 H -4-羟基-1,4-苯并恶嗪-3-酮的简单直接的有机电合成，产率高达 81%。该方法的可扩展性在克级上得到了证明。
• Some chlorinated hydroxyphenoxyacetic acids
  作者：J. P. Brown、E. B. McCall

  DOI：10.1039/jr9550003681

  日期：——