2-(3-氯-4-氟苯氧基)乙酸乙酯 | 667437-18-5

• 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-(3-氯-4-氟苯氧基)乙酸乙酯
• 英文名称: ethyl 3-chloro-4-fluoro-phenoxyacetate
• 英文别名: Ethyl 2-(3-chloro-4-fluorophenoxy)acetate
• CAS: 667437-18-5
• 化学式: C₁₀H₁₀ClFO₃
• mdl: MFCD03900652
• 分子量: 232.639
• InChiKey: HNHZVENZIMYHDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-氯-4-氟苯氧基)乙酸乙酯 在 氢氧化钾 、 氯化亚砜 作用下， 以 正己烷 、 水 为溶剂， 反应 1.0h， 生成 3-氯-4-氟-苯氧基乙酰氯
  参考文献：
  名称：

  One-pot synthesis of fluorine containing 3-cyano/ethoxycarbonyl-2-methyl-benzo[b]furans

  摘要：

  Fluoro-substituted 3-cyano-2-methyl-benzo[b]furans and ethyl 2-methyl-benzo[b]furan-3-carboxylates are conveniently prepared in a single step in good yield by the microwave induced tandem intramolecular Wittig and Claisen rearrangement reactions of the corresponding [(aryloxyacetyl) (cyano) methylene] triphenylphosphorane and [(aryloxyacetyl) (ethoxycarbonyl) methylene] triphenylphosphoranes, respectively. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.019
• 作为产物：
  描述：

  3-氯-4-氟苯酚 、 溴乙酸乙酯 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以92%的产率得到2-(3-氯-4-氟苯氧基)乙酸乙酯
  参考文献：
  名称：

  One-pot synthesis of fluorine containing 3-cyano/ethoxycarbonyl-2-methyl-benzo[b]furans

  摘要：

  Fluoro-substituted 3-cyano-2-methyl-benzo[b]furans and ethyl 2-methyl-benzo[b]furan-3-carboxylates are conveniently prepared in a single step in good yield by the microwave induced tandem intramolecular Wittig and Claisen rearrangement reactions of the corresponding [(aryloxyacetyl) (cyano) methylene] triphenylphosphorane and [(aryloxyacetyl) (ethoxycarbonyl) methylene] triphenylphosphoranes, respectively. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.10.019

文献信息

• DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160221965A1

  公开（公告）日：2016-08-04

  The present application relates to novel 2,5-disubstituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

  本申请涉及新颖的2,5-二取代6-(三氟甲基)嘧啶-4(3H)-酮衍生物，其制备方法，其单独或与其他药物联合用于治疗和/或预防疾病，以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管、肾脏、炎症和纤维化疾病。
• HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160237059A1

  公开（公告）日：2016-08-18

  The present application relates to novel heterocyclically substituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

  本申请涉及新颖的杂环取代的6-(三氟甲基)嘧啶-4(3H)-酮衍生物，其制备方法，它们单独或组合用于治疗和/或预防疾病，以及它们用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管、肾脏、炎症和纤维化疾病。
• Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof
  申请人：Sekiguchi Yoshinori

  公开号：US20050197350A1

  公开（公告）日：2005-09-08

  The present invention relates to novel compounds of the Formula (I): which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涉及一种新的化合物，其化学式为(I)，该化合物作为MCH受体拮抗剂。这些组合物在制药组合物中的应用包括预防或治疗改善记忆功能、睡眠和觉醒、焦虑、抑郁、情绪障碍、癫痫、肥胖症、糖尿病、食欲和进食障碍、心血管疾病、高血压、血脂异常、心肌梗死、暴食症包括贪食症、厌食症、精神障碍包括躁郁症、精神分裂症、谵妄、痴呆、压力、认知障碍、注意力缺陷障碍、物质滥用障碍和运动障碍包括帕金森病、癫痫和成瘾等。
• QUINOLINE, TETRAHYDROQUINOLINE AND PYRIMIDINE DERIVATIVES AS MCH ANTAGONIST
  申请人：Taisho Pharmaceutical Co. Ltd.

  公开号：EP1464335A2

  公开（公告）日：2004-10-06

  The present invention relates to compounds of the Formula (I) wherein Q is: which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涉及式（I）化合物 其中 Q 为 作为 MCH 受体拮抗剂的化合物。这些组合物可用于药物组合物中，其用途包括预防或治疗改善记忆功能、睡眠和唤醒、焦虑、抑郁、情绪障碍、癫痫发作、肥胖、糖尿病、食欲和进食障碍、心血管疾病、高血压、血脂异常、心肌梗塞、暴饮暴食症（包括贪食症）、厌食症、心肌梗塞、暴食症（包括贪食症）、厌食症、精神障碍（包括躁狂抑郁症）、精神分裂症、谵妄、痴呆、压力、认知障碍、注意力缺陷障碍、药物滥用障碍和运动障碍（包括帕金森病）、癫痫和成瘾。
• Studies of <i>O</i>,<i>O</i>-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
  作者：Hong-Wu He、Jun-Lin Yuan、Hao Peng、Ting Chen、Ping Shen、Shu-Qing Wan、Yanjun Li、Hong-Liang Tan、Ya-Hui He、Jun-Bo He、Yan Li

  DOI：10.1021/jf104247w

  日期：2011.5.11

  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.