(E)-3-(α-methoxy)methylenebenzofuran-2(3H)-one | 40800-90-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (E)-3-(α-methoxy)methylenebenzofuran-2(3H)-one
• 英文别名: 3-(methoxy)methylenebenzofuran-2(3H)-one；3-methoxymethylidene-2(3H)-benzofuranone；3-(α-Methoxy)-methylenbenzofuran-2(3H)-on；(3E)-3-(methoxymethylene)-1-benzofuran-2(3H)-one；(3E)-3-(methoxymethylidene)-1-benzofuran-2-one
• CAS: 40800-90-6
• 化学式: C₁₀H₈O₃
• 分子量: 176.172
• InChiKey: YDHPXCHZYXPZIS-SOFGYWHQSA-N

物化性质

• 沸点：
  331.1±37.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  (E)-3-(α-methoxy)methylenebenzofuran-2(3H)-one 在 sodium carbonate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 5.0h， 生成 2-[(6-氯-4-嘧啶基)氧基]-alpha-(二甲氧基甲基)苯乙酸甲酯
  参考文献：
  名称：

  嘧菌酯的合成方法

  摘要：

  本发明公开了嘧菌酯的合成方法及用于嘧菌酯合成的催化剂，该催化剂是将三乙烯二胺固定化连接在硅胶表面，不但可以有效地催化嘧菌酯的合成反应，还可以通过简单的方法回收重复使用，减少了催化剂的消耗，适应大规模工业化生产。

  公开号：

  CN104311493B

文献信息

• [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。
• Methods for Preparing Azoxystrobin and Intermediate Thereof
  申请人：NUTRICHEM COMPANY LIMITED

  公开号：US20160200687A1

  公开（公告）日：2016-07-14

  The present invention discloses a method for preparing azoxystrobin intermediates represented by formulae (1) and (2), comprising: controlling a compound represented by formula (3) to contact with sodium methoxide and 4,6-dichloropyrimidine, to obtain a mixture of intermediates represented by formulae (1) and (2), in the existence of a catalyst, the catalyst is an azabicyclic compound or its salt. The present invention further discloses a method for preparing azoxystrobin, comprising: controlling the intermediate represented by formula (2) provided in the present invention to react with 2-cyanophenol or its salt under the catalytic action of an azabicyclic compound or its salt, to obtain an azoxystrobin compound represented by formula (4). The method provided in the present invention has advantages including high transformation ratio, high product purity, easy and convenient operation, and environmental friendliness.

  本发明揭示了一种制备由式（1）和（2）表示的阿托霉唑中间体的方法，包括：控制由式（3）表示的化合物与甲氧基钠和4,6-二氯嘧啶接触，以在存在催化剂的情况下获得由式（1）和（2）表示的中间体的混合物，其中催化剂为吡啶环化合物或其盐。本发明还揭示了一种制备阿托霉唑的方法，包括：控制本发明提供的由式（2）表示的中间体，在吡啶环化合物或其盐的催化作用下与2-氰基苯酚反应，以获得由式（4）表示的阿托霉唑化合物。本发明提供的方法具有高转化率、高产品纯度、操作简便方便和环保友好等优点。
• METHODS FOR PREPARING AZOXYSTROBIN AND INTERMEDIATE THEREOF
  申请人：Nutrichem Company Limited

  公开号：EP3042896A1

  公开（公告）日：2016-07-13

  The present invention discloses a method for preparing azoxystrobin intermediates represented by formulae (1) and (2), comprising: controlling a compound represented by formula (3) to contact with sodium methoxide and 4,6-dichloropyrimidine, to obtain a mixture of intermediates represented by formulae (1) and (2), in the existence of a catalyst, the catalyst is an azabicyclic compound or its salt. The present invention further discloses a method for preparing azoxystrobin, comprising: controlling the intermediate represented by formula (2) provided in the present invention to react with 2-cyanophenol or its salt under the catalytic action of an azabicyclic compound or its salt, to obtain an azoxystrobin compound represented by formula (4). The method provided in the present invention has advantages including high transformation ratio, high product purity, easy and convenient operation, and environmental friendliness.

  本发明公开了一种制备式(1)和(2)代表的唑菌酯中间体的方法，包括：控制式(3)代表的化合物与甲醇钠和4,6-二氯嘧啶接触，得到式(1)和(2)代表的中间体混合物，在存在催化剂的情况下，催化剂为氮杂环化合物或其盐。本发明进一步公开了一种制备唑啉草酯的方法，包括：控制本发明提供的式(2)代表的中间体在氮杂环化合物或其盐的催化作用下与2-氰基苯酚或其盐反应，得到式(4)代表的唑啉草酯化合物。本发明提供的方法具有转化率高、产品纯度高、操作简单方便、环保等优点。
• METHOD FOR PREPARING AZOXYSTROBIN INTERMEDIATES
  申请人：CAC Nantong Chemical Co., Ltd.

  公开号：EP3476837A1

  公开（公告）日：2019-05-01

  The present invention provides a method for preparing azoxystrobin intermediates, comprising reacting compound A and dichloropyrimidine in the presence of a trimethylamine catalyst with the addition of a sodium methoxide solution in methanol or the addition of sodium methoxide and methanol separately to produce a mixture of compound B and compound C. Azoxystrobin intermediate compound B and compound C are synthesized from compound A in the present invention, which is catalyzed by using a trimethylamine catalyst, allowing the reaction to have high efficiency and high yield. In addition, the trimethylamine catalyst has a low boiling point and thus can be easily recycled so that the ammoniacal nitrogen content in wastewater can be reduced, and the difficulties and high costs for wastewater processing can be also reduced. The recycled trimethylamine catalyst can be reused in preparing intermediate compound B, which also has a high catalytic effect and can also achieve a high product yield. The method of the present invention has significant synthetical cost advantages and is suitable for industrial production.

  本发明提供了一种制备唑啉草酯中间体的方法，包括在三甲胺催化剂存在下，加入甲醇中的甲醇钠溶液或分别加入甲醇钠和甲醇，使化合物A和二氯嘧啶反应，生成化合物B和化合物C的混合物。本发明中唑啉草酯中间体化合物B和化合物C由化合物A合成，采用三甲胺催化剂催化，使反应具有高效率、高收率的特点。此外，三甲胺催化剂沸点低，易于回收利用，可减少废水中的氨氮含量，降低废水处理的难度和成本。回收的三甲胺催化剂可重复用于制备中间体化合物 B，同样具有较高的催化效果，也能获得较高的产品收率。本发明的方法具有显著的合成成本优势，适合工业化生产。
• Method for preparing azoxystrobin and its intermediates
  申请人：Nutrichem Company Limited

  公开号：US10253001B2

  公开（公告）日：2019-04-09

  The present invention discloses a method for preparing azoxystrobin intermediates represented by formulae (1) and (2), comprising: controlling a compound represented by formula (3) to contact with sodium methoxide and 4,6-dichloropyrimidine, to obtain a mixture of intermediates represented by formulae (1) and (2), in the existence of a catalyst, the catalyst is an azabicyclic compound or its salt. The present invention further discloses a method for preparing azoxystrobin, comprising: controlling the intermediate represented by formula (2) provided in the present invention to react with 2-cyanophenol or its salt under the catalytic action of an azabicyclic compound or its salt, to obtain an azoxystrobin compound represented by formula (4). The method provided in the present invention has advantages including high transformation ratio, high product purity, easy and convenient operation, and environmental friendliness.

  本发明公开了一种制备式(1)和(2)代表的唑菌酯中间体的方法，包括：控制式(3)代表的化合物与甲醇钠和4,6-二氯嘧啶接触，得到式(1)和(2)代表的中间体混合物，在存在催化剂的情况下，催化剂为氮杂环化合物或其盐。本发明进一步公开了一种制备唑啉草酯的方法，包括：控制本发明提供的式(2)代表的中间体在氮杂环化合物或其盐的催化作用下与2-氰基苯酚或其盐反应，得到式(4)代表的唑啉草酯化合物。本发明提供的方法具有转化率高、产品纯度高、操作简单方便、环保等优点。