1-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}cyclopropane carboxylic acid | 434334-78-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}cyclopropane carboxylic acid
• 英文别名: 1-[2-Chloro-4-fluoro-5-{3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl}phenoxy]cyclopropanecarboxylic acid；1-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]cyclopropane-1-carboxylic acid
• CAS: 434334-78-8
• 化学式: C₁₆H₁₁ClF₄N₂O₅
• 分子量: 422.72
• InChiKey: TUNFZKXGMLOOSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}cyclopropane carboxylic acid 以 氯化亚砜 为溶剂， 生成 1-[2-chloro-4-fluoro-5-{3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl}phenoxy]cyclopropanecarboxylic acid chloride
  参考文献：
  名称：

  Uracil compounds and use thereof

  摘要：

  本发明提供了一种尿嘧啶化合物，其化学式为：其中A1代表氨基或C1-C3烷基，A2代表C1-C3卤代烷基，X代表氢或卤素，Y代表卤素，R1代表—OR21，—ON(R22)R23，—ON═C(R24)R25，—SR26，—N(R27)R28，—N(29)OR30，—N(R31)SO2R32或—N(R33)N(R34)R35，而R2、R3、R4和R5独立地代表氢或C1-C3烷基，以及一种包含上述尿嘧啶化合物作为活性成分的除草剂组合物。该尿嘧啶化合物具有优异的除草活性。

  公开号：

  US06403534B1
• 作为产物：
  描述：

  1,4-二氧六环 、 methyl 1-[2-chloro-4-fluoro-5-{3-methyl-2,6-dioxo-4-(trifluoro-methyl)-1,2,3,6-tetrahydropyrimidin-1-yl}phenoxy]cyclo-propanecarboxylate 、 甲基叔丁基醚 在 盐酸 作用下， 以 正己烷 为溶剂， 生成 1-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}cyclopropane carboxylic acid
  参考文献：
  名称：

  Uracil compounds and use thereof

  摘要：

  本发明提供了一种尿嘧啶化合物，其化学式为：其中A1代表氨基或C1-C3烷基，A2代表C1-C3卤代烷基，X代表氢或卤素，Y代表卤素，R1代表—OR21，—ON(R22)R23，—ON═C(R24)R25，—SR26，—N(R27)R28，—N(29)OR30，—N(R31)SO2R32或—N(R33)N(R34)R35，而R2、R3、R4和R5独立地代表氢或C1-C3烷基，以及一种包含上述尿嘧啶化合物作为活性成分的除草剂组合物。该尿嘧啶化合物具有优异的除草活性。

  公开号：

  US06403534B1
• 作为试剂：
  描述：

  methyl 1-[2-chloro-4-fluoro-5-{3-methyl-2,6-dioxo-4-(trifluoro-methyl)-1,2,3,6-tetrahydropyrimidin-1-yl}phenoxy]cyclo-propanecarboxylate 、 盐酸 、 在 乙酸乙酯 、 水 、 氯化钠 、 magnesium sulfate 、 正己烷 、 甲基叔丁基醚 、 1-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}cyclopropane carboxylic acid 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以to give 1.2 g of 1-[2-chloro-4-fluoro-5-{3-methyl-2,6-dioxo-4-(trifluoro-methyl)-1,2,3,6-tetrahydropyrimidin-1-yl}phenoxy]cyclo-propanecarboxylic acid (Compound 1-1)的产率得到1-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}cyclopropane carboxylic acid
  参考文献：
  名称：

  Uracil compounds and use thereof

  摘要：

  本发明提供了一种尿嘧啶化合物，其化学式为：其中，A1代表氨基或C1-C3烷基，A2代表C1-C3卤代烷基，X代表氢或卤素，Y代表卤素，R1代表—OR21，—ON(R22)R23，—ON═C(R24)R25，—SR26，—N(R27)R28，—N(29)OR30，—N(R31)SO2R32或—N(R33)N(R34)R35，而R2、R3、R4和R5分别独立地代表氢或C1-C3烷基。还提供了一种包含上述尿嘧啶化合物作为活性成分的除草剂组合物，该尿嘧啶化合物具有出色的除草活性。

  公开号：

  US06403534B1

文献信息

• LIBRARY OF NOVEL "UNNATURAL" NATURAL PRODUCTS
  申请人：Kosan Biosciences, Inc.

  公开号：EP1124968A2

  公开（公告）日：2001-08-22
• US6403534B1
  申请人：——

  公开号：US6403534B1

  公开（公告）日：2002-06-11
• [EN] LIBRARY OF NOVEL "UNNATURAL" NATURAL PRODUCTS<br/>[FR] BANQUE DE NOUVEAUX PRODUITS NATURELS = NON NATURELS >/=
  申请人：KOSAN BIOSCIENCES INC

  公开号：WO2000024907A2

  公开（公告）日：2000-05-04

  Genetic engineering of the erythromycin polyketide synthase genes to effect combinatorial alterations of catalytic activities in the biosynthetic pathway can be used to generate a library of macrolides impractical to produce by chemical methods. The library includes examples of analogs with one, two and three altered carbon centers of the polyketide products.
• METHOD FOR CONTROLLING HERBICIDE-RESISTANT WEEDS
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20240049713A1

  公开（公告）日：2024-02-15

  To provide a method for effectively controlling specific weeds having resistance to herbicides. Disclosed is a method for controlling PPO inhibitor-resistant weeds, which comprises a step of applying one or more uracil compounds selected from the group consisting of a compound represented by the following formula (I), a compound represented by the following formula (II) and a compound represented by the following formula (III).
• HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20240049711A1

  公开（公告）日：2024-02-15

  A herbicidal composition including one or more uracil compounds selected from the group consisting of a compound of formula (I): a compound of formula (II): and a compound of formula (III): and one or more compounds selected from the group consisting of the herbicide compound group B and the safener group C, wherein the herbicide compound group B is the group consisting of the following B-1 to B-12: B-1, acetolactate synthase inhibitors; B-2, acetyl CoA carboxylase inhibitors; B-3, protoporphyrinogen IX oxidase inhibitors; B-4, 4-hydrophenylpyrubic acid dioxygenase inhibitors; B-5, phytoene desaturase inhibitors; B-6, photosystem II inhibitors; B-7, very-long-chain fatty acid synthesis inhibitors; B-8, microtubule formation inhibitors; B-9, auxin-type herbicides; B-10, enolpyruvylshikimate-3-phosphate synthase inhibitors; B-11, glutamine synthase inhibitors; and B-12, other herbicides; (including agriculturally acceptable salts or derivatives thereof).