(E)-methyl 2-[2'-(4"-chloropyrimidin-2"-yloxy)phenyl]-3-methoxyacrylate | 114102-59-9

• 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: (E)-methyl 2-[2'-(4"-chloropyrimidin-2"-yloxy)phenyl]-3-methoxyacrylate
• 英文别名: methyl (E)-2-[2-(4-chloropyrimidin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
• CAS: 114102-59-9
• 化学式: C₁₅H₁₃ClN₂O₄
• 分子量: 320.732
• InChiKey: ZOIRZVDTCLQAHF-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-3-methoxy-2-(2-hydroxyphenyl)acrylic acid methyl ester 生成 (E)-methyl 2-[2'-(4"-chloropyrimidin-2"-yloxy)phenyl]-3-methoxyacrylate
  参考文献：
  名称：

  ANTHONY, VIVLENNE MARGARET;CLOUGH, JOHN MARTIN;DE, FRAINE PAUL JOHN;GODFR+

  摘要：

  DOI：

文献信息

• Certain 2-pyridyl oxy-phenyl acrylates having fungicidal, insecticidal,
  申请人：Imperial Chemical Industries PLC

  公开号：US05057146A1

  公开（公告）日：1991-10-15

  This invention relates to derivatives of acrylic acid useful in agriculture (especially as fungicides but also as plant growth regulators, insecticides and nematocides), to processes for preparing them, to agricultural (especially fungicidal) compositions containing them, and to methods of using them to combat fungi, especially fungal infections in plants, to regulate plant growth and to kill or control insect or nematode pests. The invention provides a compound having the formula (I): ##STR1## and stereoisomers thereof, wherein W is a substituted pyridinyl or substituted pyrimidinyl group linked to A by any of its ring carbon atoms; A is either an oxygen atom or S(O).sub.n wherein n is 0, 1 or 2; X, Y and Z, which are the same or different, are hydrogen or halogen atoms, or hydroxy, optionally substituted alkyl (including haloalkyl), optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted alkoxy, (including haloalkoxy), optionally substituted alkylthio, optionally substituted aryloxy, optionally substituted arylalkoxy, optionally substituted acyloxy, optionally substituted amino, optionally substituted acylamino, nitro, cyano, --CO.sub.2 R.sup.3, --CONR.sup.4 R.sup.5, --COR.sup.6 or --S(O).sub.m R.sup.7 (wherein m is 0, 1 or 2) groups, or any two of the groups X, Y and Z, when they are in adjacent positions on the phenyl ring, may join to form a fused ring, either aromatic or aliphatic, optionally containing one or more heteroatoms; R.sup.1 and R.sup.2, which are the same or different, are optionally substituted alkyl (including fluoroalkyl) groups provided that when W is 5-trifluoromethylpyridin-2-yl, A is oxygen, X is hydrogen, and R.sup.1 and R.sup.2 are both methyl, Y and Z are not both hydrogen, Y is not F, Cl, methyl, nitro, 5--CF.sub.3, 5--SCH.sub.3 or 4--(CH.sub.3).sub.2 N if Z is hydrogen and Y and Z together are not 3-nitro-5-chloro, 3,5-dinitro, 4,5-dimethoxy or 4,5-methylenedioxy; and R.sup.3, R.sup.4, R.sup.5, R.sup.6 and R.sup.7, which are the same or different, are hydrogen atoms or optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl or optionally substituted aralkyl groups; and metal complexes thereof.

  本发明涉及丙烯酸的衍生物，其在农业中有用（特别是作为杀菌剂，但也作为植物生长调节剂、杀虫剂和线虫剂），以及制备它们的过程，包含它们的农业（特别是杀菌剂）组合物，以及使用它们来对抗真菌，特别是植物中的真菌感染，调节植物生长，以及杀死或控制昆虫或线虫害的方法。本发明提供了一个化合物，其化学式为（I）：##STR1##及其立体异构体，其中W是被任何环碳原子连接到A的取代吡啶基或取代嘧啶基；A是氧原子或S（O）.sub.n，其中n为0，1或2；X、Y和Z，它们相同或不同，是氢或卤素原子，或羟基、可选取代的烷基（包括卤代烷基）、可选取代的烯基、可选取代的炔基、可选取代的烷氧基（包括卤代烷氧基）、可选取代的烷硫基、可选取代的芳氧基、可选取代的芳基烷氧基、可选取代的酰氧基、可选取代的氨基、可选取代的酰胺基、硝基、氰基、--CO.sub.2R.sup.3、--CONR.sup.4R.sup.5、--COR.sup.6或--S（O）.sub.mR.sup.7（其中m为0、1或2）基团，或当它们在苯环上相邻的位置时，X、Y和Z中的任意两个基团可以连接形成一个融合环，可以是芳香族或脂环，可选包含一个或多个杂原子；R.sup.1和R.sup.2，它们相同或不同，是可选取代的烷基（包括氟代烷基）基团，但当W为5-三氟甲基吡啶-2-基时，A为氧，X为氢，R.sup.1和R.sup.2均为甲基，Y和Z不同时为氢，Y不为F、Cl、甲基、硝基、5--CF.sub.3、5--SCH.sub.3或4--（CH.sub.3）.sub.2N，如果Z为氢，则Y和Z一起不为3-硝基-5-氯、3,5-二硝基、4,5-二甲氧基或4,5-亚甲基二氧基；以及它们的金属配合物。
• Fungicides
  申请人：ZENECA LIMITED

  公开号：EP0242081A1

  公开（公告）日：1987-10-21

  Compounds of formula: and stereoisomers thereof, wherein the substituents have the meaning given in claim 1; and metal complexes thereof. The compounds are useful mainly as fungicides but also as plant growth regulators and insecticides/nematocides.

  式化合物及其立体异构体，其中取代基的含义如权利要求 1 所述： 及其立体异构体，其中取代基的含义如权利要求 1 所述；及其金属配合物。这些化合物主要用作杀真菌剂，也可用作植物生长调节剂和杀虫剂/杀线虫剂。
• ANTHONY, VIVIENNE MARGARET;CLOUGH, JOHN MARTIN;DE, FRAINE PAUL JOHN;GODFR+
  作者：ANTHONY, VIVIENNE MARGARET、CLOUGH, JOHN MARTIN、DE, FRAINE PAUL JOHN、GODFR+

  DOI：——

  日期：——
• ANTHONY, VIVLENNE MARGARET;CLOUGH, JOHN MARTIN;DE, FRAINE PAUL JOHN;GODFR+
  作者：ANTHONY, VIVLENNE MARGARET、CLOUGH, JOHN MARTIN、DE, FRAINE PAUL JOHN、GODFR+

  DOI：——

  日期：——
• ANTHONY, VIVIENNE MARGARET;CLOUGH, JOHN MARTIN;DEFROUNE, PAUL;GODFREY, CH+
  作者：ANTHONY, VIVIENNE MARGARET、CLOUGH, JOHN MARTIN、DEFROUNE, PAUL、GODFREY, CH+

  DOI：——

  日期：——