3-氯-4-氟-苯氧基乙酰氯 | 826990-47-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-氯-4-氟-苯氧基乙酰氯
• 中文别名: 2-(3-氯-4-氟-苯氧基)乙酰氯化物
• 英文名称: 2-(3-chloro-4-fluorophenoxy)acetyl chloride
• 英文别名: (3-Chloro-4-fluorophenoxy)acetyl chloride
• CAS: 826990-47-0
• 化学式: C₈H₅Cl₂FO₂
• mdl: MFCD09673332
• 分子量: 223.031
• InChiKey: KVZHBLKETNAFKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  敌百虫 、 3-氯-4-氟-苯氧基乙酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 以80%的产率得到O,O-dimethyl 1-(3-chloro-4-fluorophenoxyacetoxy)-2,2,2-trichloroethylphosphonate
  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：

  tert-butyl 2-(3-chloro-4-fluorophenoxy)acetate 在 草酰氯 、 N,N-二甲基甲酰胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 3-氯-4-氟-苯氧基乙酰氯
  参考文献：
  名称：

  [EN] NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS)
  [FR] NOUVEAUX COMPOSÉS DE PYRIDOPYRIMIDINONE POUR MODULER L'ACTIVITÉ CATALYTIQUE DES HISTONE LYSINE DÉMÉTHYLASES (KDM)

  摘要：

  公开号：

  WO2016068580A3

文献信息

• [EN] MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2019090081A1

  公开（公告）日：2019-05-09

  Provided herein are compounds of Formula (I) or Formula (II), compositions, and methods there of useful for modulating the integrated stress response (ISR) and for treating related diseases, disorders and conditions.

  本文提供了化合物的公式(I)或公式(II)，以及用于调节综合应激反应（ISR）并治疗相关疾病、疾病和症状的组合物和方法。
• Bicyclic derivatives as modulators of ion channels
  申请人：Kawatkar Aarti S.

  公开号：US20090012117A1

  公开（公告）日：2009-01-08

  Bicyclic derivatives having formula (I) and a composition thereof are useful as ion channel antagonists:

  具有化学式（I）的双环衍生物及其组合物可用作离子通道拮抗剂。
• BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS
  申请人：Kawatkar Aarti Sameer

  公开号：US20110059965A1

  公开（公告）日：2011-03-10

  Bicyclic derivatives having formula (I) and a composition thereof are useful as ion channel antagonists:

  具有式(I)的二环衍生物及其组成物可用作离子通道拮抗剂。
• Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs)
  申请人：Dong-A Socio Holdings Co., Ltd.

  公开号：US20160122343A1

  公开（公告）日：2016-05-05

  The present invention provides a compound of Formula (I) being capable of modulating the activity of histone lysine demethylase (KDM), pharmaceutical compositions thereof, methods to prepare the said compounds, and the use of such compounds as a medicament. The compound of Formula (I) acts as KDM inhibitor with marked potency, thereby having an outstanding potential for a pharmaceutical intervention of cancer and any other diseases related to KDM dysregulation.

  本发明提供了一种式（I）的化合物，该化合物能够调节组蛋白赖氨酸去甲基化酶（KDM）的活性，以及其制备的药物组合物、制备所述化合物的方法，以及将这种化合物用作药物的用途。式（I）的化合物作为KDM抑制剂具有显著的效力，因此具有卓越的潜力用于药物干预癌症和与KDM失调相关的任何其他疾病。
• One-pot synthesis of fluorine containing 3-cyano/ethoxycarbonyl-2-methyl-benzo[b]furans
  作者：V.V.V.N.S. RamaRao、G. Venkat Reddy、D. Maitraie、S. Ravikanth、R. Yadla、B. Narsaiah、P. Shanthan Rao

  DOI：10.1016/j.tet.2004.10.019

  日期：2004.12

  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.