2-[2-chloro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-3,6-dihydro-2H-pyrimidin-1-yl)benzoyloxy]-2-methylpropionic acid chloride | 160152-72-7

• 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: 2-[2-chloro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-3,6-dihydro-2H-pyrimidin-1-yl)benzoyloxy]-2-methylpropionic acid chloride
• 英文别名: 1-(chlorocarbonyl)-1-methyl-ethyl-2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl]-benzoate；2-[2-chloro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-3,6-dihydro-2H-pyrimidin-1-yl)benzoyloxy]-2-methylpropionyl chloride；(1-chloro-2-methyl-1-oxopropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
• CAS: 160152-72-7
• 化学式: C₁₇H₁₃Cl₂F₃N₂O₅
• 分子量: 453.202
• InChiKey: FDZBYBGZXVRNFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-methyl-N-allylsulfamide 、 2-[2-chloro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-3,6-dihydro-2H-pyrimidin-1-yl)benzoyloxy]-2-methylpropionic acid chloride 在 4-二甲氨基吡啶 、 三乙胺 作用下， 反应 72.0h， 生成 2-[2-chloro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-3,6-dihydro-2H-pyrimidin-1-yl)benzoyloxy]-2-methylpropionic acid-N-methyl-N-allylsulfamide
  参考文献：
  名称：

  [DE] 3-HETEROCYCLYL SUBSTITUIERTE BENZOESÄURE-DERIVATE
  [EN] 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES
  [FR] DERIVES D'ACIDE BENZOIQUE SUBSTITUE PAR UN 3-HETEROCYCLYLE

  摘要：

  本文描述了通式（I）中带有3-杂环基取代的苯甲酸衍生物，其中变量R1到R8和X具有权利要求1中所述的含义，以及它们的盐和其作为除草剂或用于植物的脱水/落叶的用途。

  公开号：

  WO2004009561A1

文献信息

• 3-heterocyclyl substituted benzoic acid derivatives
  申请人：Puhl Michael

  公开号：US20050239655A1

  公开（公告）日：2005-10-27

  Disclosed are 3-heterocyclyl substituted benzoic acid derivatives of general formula (I), in which the variables R 1 to R 8 and X have the meanings indicated in claim 1 , and the use thereof as herbicides or for desiccating/defoliating plants.

  本发明公开了通式（I）的3-杂环基取代苯甲酸衍生物，其中变量R1至R8和X具有权利要求1所示的含义，并且其作为除草剂或用于脱水/落叶植物的用途。
• [EN] 3-ARYLURACIL DERIVATIVES AND THEIR USE AS HERBICIDES<br/>[FR] DERIVES DE 3-ARYLURACYLE ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：CIBA-GEIGY AG

  公开号：WO1994024128A1

  公开（公告）日：1994-10-27

  (EN) 3-Aryluracil derivatives of formula (I), wherein W is a group of formula (a) or (b), wherein the bond to the ring nitrogen atom is made via the carbon atom; R1 is hydrogen, C1-C4alkyl, C1-C4haloalkyl, C3- or C4-alkenyl or C3- or C4-alkynyl; R2 is halogen or cyano; R3 is hydrogen or fluorine; R4 is hydrogen, halogen or C1-C4alkyl; R5 is C1-C4 alkyl or C1-C4haloalkyl; R6 and R7 are each independently of the other hydrogen, C1-C8alkyl, C3-C6alkenyl, C3-C6alkynyl, C3-C8cycloalkyl, C1-C6haloalkyl, C1-C6alkoxy-C1-C6alkyl, C1-C6-alkylthio-C1-C6alkyl, aryl, aryl-C1-C4alkyl, heteroaryl or heteroaryl-C1-C4alkyl; or R6 and R7 together with the carbon atom to which they are bonded form a 3-, 4-, 5- or 6-membered ring which is unsubstituted or mono- or poly-substituted by C1-C4alkyl and which may contain -O-, -S- or -N(R10)- as hetero atom; R8 is C1-C6alkyl, cyano-C1-C6alkyl, nitro-C1-C6alkyl, C3-C6alkenyl, C3-C6alkynyl, C1-C6haloalkyl, C3-C6haloalkenyl, C3-C6cycloalkyl, C3-C6cycloalkyl-C1-C6alkyl, aryl, aryl-C1-C4alkyl, heteroaryl, heteroaryl-C1-C4alkyl, C1-C6alkyl-carbonyl-C1-C6alkyl, C1-C6alkoxy-C1-C6alkyl, C1-C6alkoxy-carbonyl-C1-C6alkyl, C3-C6-alkenyloxy-carbonyl-C1-C6alkyl, C1-C6alkylthio-C1-C6alkyl, C1-C6-dialkylamino-C2-C6alkyl, oxetanyl or C1-C6isoalkylideneaminooxy-C1-C4alkyl; R9 is C1-C4alkyl, C3- or C4-alkenyl or C3- or C4-alkynyl; and R10 is hydrogen or C1-C4alkyl; and, when R1 is hydrogen, the agrochemically acceptable salts of compounds of formula (I) are suitable as active ingredients in weed control compositions.(FR) Dérivés de 3-aryluracyle de formule (I), dans laquelle W est un groupe de formule (a) ou (b), dans laquelle la liaison à l'atome d'azote cyclique s'effectue par l'intermédiaire de l'atome de carbone; R1 représente hydrogène, alkyle C1-C4, haloalkyle C1-C4, alcényle C3- ou C4 ou alkynyl C3- ou C4; R2 représente halogène ou cyano; R3 représente hydrogène ou fluor; R4 représente hydrogène, halogène ou alkyle C1-C4; R5 représente alkyle C1-C4 ou haloalkyle C1-C4; R6 et R7 représentent chacun indépendamment hydrogène, alkyle C1-C8, alcényle C3-C6, alkynyle C3-C6, cycloalkyle C3-C8, haloalkyle C1-C6, alcoxy C1-C6- alkyle C1-C6, alkylthio C1-C6 - alkyle C1-C6, aryle, aryle-alkyle C1-C4, hétéroaryle ou hétéroaryl-alkyle -C1-C4; ou R6 et R7 ainsi que l'atome de carbone auquel ils sont fixés forment un cycle à 3, 4, 5 ou 6 éléments non substitués ou mono ou polysubstitué par alkyle C1-C4 et peuvent contenir -O-, -S- ou -N(R10)- en tant qu'hétéroatome; R8 représente alkyle C1-C6, cyano-alkyle-C1-C6, nitro-alkyle -C1-C6, alcényle C3-C6, alkynyle C3-C6, haloalkyle C1-C6, haloalcényle C3-C6, cycloalkyle C3-C6, cycloalkyle C3-C6, alkyle -C1-C6, aryle, aryle-alkyle -C1-C4, hétéroaryle, hétéroaryle-alkyle C1-C4, alkyle C1-C6, carbonyle-alkyle -C1-C6, alcoxy C1-C6-alkyle C1-C6, alcoxy C1-C6 - carbonyle-alkyle C1-C6, -alcényloxy C3-C6 carbonyle-alkyle C1-C6, alkylthio C1-C6-alkyle C1-C6, dialkylamino C1-C6-alkyle C2-C6, oxétanyle ou isoalkylidèneaminooxy C1-C6 - alkyle C1-C4; R9 représente alkyle C1-C4, alcényle C3-C4- ou alkynyle C3- ou C4; et R10 représente hydrogène ou alkyle C1-C4; et, lorsque R1 représente hydrogène, les sels agrochimiquement acceptables des composés de formule (I) étant appropriés en tant qu'ingrédients actifs dans des compositions herbicides.

  以下是对上述英文文本的中文翻译： (EN) 3-Aryluracil derivatives of formula (I), wherein W is a group of formula (a) or (b), wherein the bond to the ring nitrogen atom is made via the carbon atom; R1 is hydrogen, C1-C4alkyl, C1-C4haloalkyl, C3- or C4-alkenyl or C3- or C4-alkynyl; R2 is halogen or cyano; R3 is hydrogen or fluorine; R4 is hydrogen, halogen or C1-C4alkyl; R5 is C1-C4 alkyl or C1-C4haloalkyl; R6 and R7 are each independently of the other hydrogen, C1-C8alkyl, C3-C6alkenyl, C3-C6alkynyl, C3-C8cycloalkyl, C1-C6haloalkyl, C1-C6alkoxy-C1-C6alkyl, C1-C6-alkylthio-C1-C6alkyl, aryl, aryl-C1-C4alkyl, heteroaryl or heteroaryl-C1-C4alkyl; or R6 and R7 together with the carbon atom to which they are bonded form a 3-, 4-, 5- or 6-membered ring which is unsubstituted or mono- or poly-substituted by C1-C4alkyl and which may contain -O-, -S- or -N(R10)- as hetero atom; R8 is C1-C6alkyl, cyano-C1-C6alkyl, nitro-C1-C6alkyl, C3-C6alkenyl, C3-C6alkynyl, C1-C6haloalkyl, C3-C6haloalkenyl, C3-C6cycloalkyl, C3-C6cycloalkyl-C1-C6alkyl, aryl, aryl-C1-C4alkyl, heteroaryl, heteroaryl-C1-C4alkyl, C1-C6alkyl-carbonyl-C1-C6alkyl, C1-C6alkoxy-C1-C6alkyl, C1-C6alkoxy-carbonyl-C1-C6alkyl, C3-C6-alkenyloxy-carbonyl-C1-C6alkyl, C1-C6alkylthio-C1-C6alkyl, C1-C6-dialkylamino-C2-C6alkyl, oxetanyl or C1-C6isoalkylideneaminooxy-C1-C4alkyl; R9 is C1-C4alkyl, C3- or C4-alkenyl or C3- or C4-alkynyl; and R10 is hydrogen or C1-C4alkyl; and, when R1 is hydrogen, the agrochemically acceptable salts of compounds of formula (I) are suitable as active ingredients in weed control compositions.
• 3-HETEROCYCLYL-SUBSTITUIERTE BENZOESÄUREDERIVATE
  申请人：BASF Aktiengesellschaft

  公开号：EP1527052B1

  公开（公告）日：2006-05-31
• US5599771A
  申请人：——

  公开号：US5599771A

  公开（公告）日：1997-02-04
• US7767624B2
  申请人：——

  公开号：US7767624B2

  公开（公告）日：2010-08-03