2-[2-(6-chloropyrimidin-4-yloxy)phenyl]-3-methoxyacrylic acid | 478413-47-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(6-chloropyrimidin-4-yloxy)phenyl]-3-methoxyacrylic acid
• 英文别名: (I+/-E)-2-[(6-Chloro-4-pyrimidinyl)oxy]-I+/--(methoxymethylene)benzeneacetic acid；(E)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoic acid
• CAS: 478413-47-7
• 化学式: C₁₄H₁₁ClN₂O₄
• 分子量: 306.705
• InChiKey: IELHIACVIURUJP-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  81.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2-(6-chloropyrimidin-4-yloxy)phenyl]-3-methoxyacrylic acid 在 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-decyloxy-7-ethoxy-4-{6-[2-(2-methoxy-1-methoxycarbonylvinyl)phenoxy]pyrimidin-4-yloxy}quinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and Anticoccidial Activities of Quinoline Carboxylate Derivatives with Methyl (E)-2-(3-methoxy)acrylate Moiety

  摘要：

  设计并合成了一系列具有甲基(E)-2-(3-甲氧基)丙烯酸酯基团的新型喹啉羧酸衍生物作为抗球虫药物。通过1H NMR、IR和HR-MS光谱确认了其结构。根据抗球虫指数方法初步评估了生物活性。结果表明，这些化合物（7c、7d、7e、7g）对柔嫩艾美耳球虫具有抗球虫活性。特别是，6-癸氧基-7-乙氧基-4-{6-[2-(2-甲氧基-1-甲氧羰基-乙烯基)苯氧基]嘧啶-4-氧基}-喹啉-3-羧酸乙酯（7e）的抗球虫指数为168.7，表明该化合物具有良好的抗球虫活性。

  DOI：

  10.14233/ajchem.2013.14806

文献信息

• PREPARATION METHODS OF AZOXYSTROBIN AND ITS ANALOGS
  申请人：Liu Shangzhong

  公开号：US20100179320A1

  公开（公告）日：2010-07-15

  Preparation method of a compound of general formula (I) comprises the following steps: (1) a compound of general formula (II) reacts with a formylating agent in an aprotic solvent at a temperature between −20° C. and 200° C. in the presence of a Lewis acid, then an organic base is added to promote the reaction to obtain an intermediate product; (2) the above intermediate product reacts with a methylating agent in the presence of an alkali at a temperature between −20° C. and 100° C. to obtain the compound of formula (I).

  通用式（I）化合物的制备方法包括以下步骤：（1）通用式（II）化合物在无水溶剂中与一种甲酰化试剂在-20°C至200°C的温度范围内，在Lewis酸的存在下反应，然后加入有机碱促进反应以获得中间产物；（2）上述中间产物在碱的存在下与一种甲基化试剂在-20°C至100°C的温度范围内反应，以获得通式（I）化合物。
• Fungicides
  申请人：——

  公开号：US20030060626A1

  公开（公告）日：2003-03-27

  The invention provides fungicidal compounds of formula (I) or stereoisomers thereof: 1 wherein X is CH 2 O; A is hydrogen; E is hydrogen; q is 1; any two of K, L and M are nitrogen and the other is CH; T is oxygen or sulfur; and Z is an optionally substituted phenyl group or an optionally substituted heterocyclyl group.

  该发明提供了公式（I）或其立体异构体的杀真菌化合物：其中X为CH2O；A为氢；E为氢；q为1；K、L和M中的任意两个为氮，另一个为CH；T为氧或硫；Z为可选取代的苯基或可选取代的杂环基。
• [EN] PROCESS FOR PREPARATION OF AZOXYSTROBIN AND INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'AZOXYSTROBINE ET SES INTERMÉDIAIRES
  申请人：UPL LTD

  公开号：WO2020212919A1

  公开（公告）日：2020-10-22

  The present invention relates to a process for preparation of strobilurin compound, azoxystrobin and its intermediates using a catalyst selected from 1,8-Diazabicyclo[5.4.0]undec-7-ene or 1,5-Diazabicyclo[4.3.0]non-5-ene, salts thereof, or derivatives thereof.

  本发明涉及一种利用从1,8-二氮杂双环[5.4.0]十一烯或1,5-二氮杂双环[4.3.0]壬-5-烯中选择的催化剂，制备叶枯菌素类化合物、阿札胺及其中间体的方法。
• [EN] PROCESS FOR THE PREPARATION OF FUNGICIDALLY ACTIVE STROBILURIN COMPOUNDS AND INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS DE STROBILURINE À ACTIVITÉ FONGICIDE ET D'INTERMÉDIAIRES DE CEUX-CI
  申请人：UPL LTD

  公开号：WO2020212928A1

  公开（公告）日：2020-10-22

  The present invention relates to a process for the preparation of strobilurin of compounds of Formula (I) of and its intermediates using 1,5,7-triazabicyclo[4.4.0]dec-5-ene or salts thereof, or derivatives thereof as a catalyst. The present invention provides the compounds of formula (I) in high yield and high purity.

  本发明涉及一种利用1,5,7-三氮杂双环[4.4.0]癸-5-烯或其盐或衍生物作为催化剂的制备化合物式(I)的斯特罗比鲁林及其中间体的方法。本发明以高产率和高纯度提供了式(I)化合物。
• Method for preparing azoxystrobin
  申请人：CAC Nantong Chemical Co., LTD

  公开号：US10189793B1

  公开（公告）日：2019-01-29

  The present invention provides a process for preparing azoxystrobin, which is performed by reacting 2-cyanophenol or a salt thereof with a compound represented by formula I under the catalysis of a trimethylamine catalyst to obtain the azoxystrobin represented by formula II, which allows the yield of the product azoxystrobin to reach 98% or more, the yield of separated product to reach 95% or more and the post-processing to be simple. The trimethylamine catalyst can be recycled and reused in synthesizing the target product azoxystrobin, which not only reduces the cost but also reduces the total nitrogen and COD in wastewater. The advantages regarding of cost and environmental protection of the method according to the present invention are significant and thus the method is suitable for industrial production.

  本发明提供了一种制备阿托霉素的方法，该方法通过在三甲胺催化下将2-氰基苯酚或其盐与式I所表示的化合物反应，得到式II所表示的阿托霉素，使产品阿托霉素的产率达到98％或更高，分离产品的产率达到95％或更高，后处理简单。三甲胺催化剂可以回收和重复使用于合成目标产品阿托霉素，不仅降低成本，还减少废水中的总氮和COD。本发明提供的方法在成本和环保方面具有明显优势，因此适合工业生产。