methyl 2-((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate | 110284-90-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate
• 英文别名: methyl 2-(4',6'-dimethoxypyrimidine-2'-yl)oxybenzoate；Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester；methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
• CAS: 110284-90-7
• 化学式: C₁₄H₁₄N₂O₅
• 分子量: 290.276
• InChiKey: VSKPNJHIWOZOCQ-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C
• 沸点：
  467.2±55.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  79.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 2.0h， 生成 O,O-dimethyl [2-(4,6-dimethoxypyrimidin-2-yloxy)phenoxyamino](phenyl)methylphosphonate
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Novel Phosphonates Derivatives of As Potential Antitumor Agents

  摘要：

  DOI：

  10.1080/10426507.2011.558363
• 作为产物：
  描述：

  2-Benzylsulfanyl-4,6-dimethoxypyrimidine 在 Oxone 、 potassium carbonate 作用下， 以 甲醇 、 丁酮 为溶剂， 生成 methyl 2-((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate
  参考文献：
  名称：

  Dimethoxypyrimidines as Novel Herbicides. Part 2. Synthesis and Herbicidal Activity ofO-Pyrimidinylsalicylates and Analogues

  摘要：

  A new series of the O-pyrimidinylsalicylates was synthesized and their herbicidal activity was examined. Some of these compounds showed very strong herbicidal activity under pre- and post-emergent treatment conditions against various kinds of grass and broadleaf weeds. Among these compounds, O-(4, 6-dimethoxypyrimidin-2-yl) salicylic acid and its methyl ester were found to exhibit the highest activity. The herbicidal symptoms observed after the treatments included early cessation of plant growth followed by chlorosis, necrosis and plant death. The symptoms were similar to those caused by sulfonylureas and imidazolinones, which inhibit branched-chain amino acid biosynthesis.

  DOI：

  10.1002/(sici)1096-9063(199606)47:2<115::aid-ps397>3.0.co;2-r

文献信息

• Synthesis and Herbicidal Activity of Novel Dialkoxyphosphoryl Aryl Methyl 2-(4,6-Dimethoxypyrimidin-2-yloxy) Benzoate Derivatives
  作者：Chuanfei Jin、Hongwu He

  DOI：10.1080/10426507.2010.511512

  日期：2011.7.1

  series of dialkoxyphosphoryl aryl methyl 2-(4,6-dimethoxy-pyrimidin-2-yloxy) benzoate derivatives was designed and synthesized. All new compounds were identified by elemental analysis, infrared (IR), 1H-NMR, and mass spectrometry (MS). Their herbicidal activity against a set of weed species was examined. Some of the compounds showed potential herbicidal activity, which provided some indications for further

  摘要 设计并合成了一系列二烷氧基磷酰基芳基甲基2-(4,6-二甲氧基嘧啶-2-基氧基)苯甲酸酯衍生物。所有新化合物均通过元素分析、红外 (IR)、1H-NMR 和质谱 (MS) 鉴定。检测了它们对一组杂草的除草活性。一些化合物显示出潜在的除草活性，这为进一步研究结构修饰提供了一些指示。补充材料可用于本文。转至出版商在线版的磷、硫和硅及相关元素，查看免费的补充文件。图形概要
• Design, synthesis and herbicidal activity of novel cyclic phosphonates with diaryl ethers containing pyrimidine
  作者：Shasha Zhang、Xinjuan Guo、Yuan Zhou、Yalan Yang、Hao Peng、Hongwu He

  DOI：10.1080/10426507.2019.1633319

  日期：2019.12.2

  Abstract Thirteen novel cyclic phosphates were rationally designed and synthesized by introducing diary ethers containing pyrimidine. All the target compounds were characterized by 1H, 13C, 31P NMR and HRMS. The test of herbicidal activity indicated that most of the compounds showed good herbicidal activities against Amaranthus retroflexus. The compounds IA-2 (1-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)propyl-2-((4

  摘要 通过引入含有嘧啶的二元醚，合理设计合成了13种新型环状磷酸酯。所有目标化合物均通过 1H、13C、31P NMR 和 HRMS 进行表征。除草活性测试表明，大部分化合物对反枝苋表现出良好的除草活性。化合物 IA-2 (1-(5,5-二甲基-2-氧化-1,3,2-二氧膦-2-基)丙基-2-((4,6-二甲氧基嘧啶-2-基)氧基)苯甲酸酯) 和 IA-3 ((5,5-二甲基-2-氧化-1,3,2-二氧膦-2-基)(苯基)甲基-2-((4,6-二甲氧基嘧啶-2-基)氧基)苯甲酸盐）在 112.5 g ai/ha 的剂量下对测试的单子叶杂草表现出显着的紧急后除草活性。图形概要
• Process for the preparation of substituted pyrimidines
  申请人：Lonza AG

  公开号：US05840892A1

  公开（公告）日：1998-11-24

  A novel process for the preparation of substituted pyrimidine derivatives of the general formula: ##STR1## in which a halopyrimidine is reacted in the presence of a sulfinate with a compound selected from the series: ##STR2## The compounds of the general formula I are precursors of, for example, compounds with herbicidal activity.

  一种用于制备通式为：##STR1## 的取代嘧啶衍生物的新工艺，在该工艺中，卤代嘧啶在亚磺酸盐的存在下与选自以下系列化合物之一发生反应：##STR2## 通式I的化合物是例如具有除草活性的化合物的前体。
• HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT
  申请人：Dongbu Farm Hannong Co., Ltd.

  公开号：US20150024940A1

  公开（公告）日：2015-01-22

  The present invention relates to a herbicidal composition comprising, as active ingredients, a herbicidally active compound and an uracil compound or an agrochemically acceptable salt thereof. The herbicidal composition has excellent effects not only on selective control of monocotyledonous or dicotyledonous weeds in useful crop plants, but also on control of monocotyledonous or dicotyledonous weeds in semi-selective or non-selective areas.

  本发明涉及一种除草剂组合物，其包含除草活性化合物和尿嘧啶化合物或其农药可接受的盐作为活性成分。该除草剂组合物不仅对有用作物中的单子叶或双子叶杂草具有选择性控制的优异效果，而且对半选择性或非选择性区域中的单子叶或双子叶杂草也有控制作用。
• Pyrimidine derivatives and herbicidal uses thereof
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0223406A1

  公开（公告）日：1987-05-27

  As new compounds are provided 2-(4′,6′-di-­substituted pyrimidine-2′-yl)oxy- or thio-benzoic acid derivatives of the formula wherein R is hydrogen, hydroxy, alkoxy, alkenyloxy, alkylthio or other substituents, R¹ and R² are each a halo, alkyl, alkoxy or other substituents; and X is oxygen or sulfur atom. These new compounds are useful as herbicidal agent effective to inhibit the growth of annual weeds and also perennial weeds predominant in irrigated fields of aquatic rice plants and in ploughed fields.

  作为新化合物，提供了 2-(4′,6′-二取代嘧啶-2′-基)氧基或硫代苯甲酸衍生物，其式为 其中R是氢、羟基、烷氧基、烯氧基、烷硫基或其它取代基，R¹和R²各自是卤代、烷基、烷氧基或其它取代基；X是氧原子或硫原子。这些新化合物可用作除草剂，有效抑制一年生杂草和多年生杂草的生长，这些杂草主要生长在水稻灌溉田和耕地中。