2-[1-(3-(4-bromophenyl)-prop-2-enyloximino)-propyl]-3-hydroxy-5-(3-tetrahydrothiopyranyl)-cyclohex-2-en-1-one | 138973-53-2

• 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-[1-(3-(4-bromophenyl)-prop-2-enyloximino)-propyl]-3-hydroxy-5-(3-tetrahydrothiopyranyl)-cyclohex-2-en-1-one
• 英文别名: 2-[N-[3-(4-bromophenyl)prop-2-enoxy]-C-ethylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one
• CAS: 138973-53-2
• 化学式: C₂₃H₂₈BrNO₃S
• 分子量: 478.45
• InChiKey: AEBAARFAMYWBFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(4-bromophenyl)-prop-2-enyloxyamine 、 2-propionyl-5-(3-tetrahydrothiopyranyl)-cyclohexane-1,3-dione 以68.4%的产率得到2-[1-(3-(4-bromophenyl)-prop-2-enyloximino)-propyl]-3-hydroxy-5-(3-tetrahydrothiopyranyl)-cyclohex-2-en-1-one
  参考文献：
  名称：

  Herbicides containing 3-aminobenzo(B)thiophenes as antidotes

  摘要：

  除草剂含有一个或多个对立的3-氨基苯并[b]噻吩I ##STR1##其中，公式I化合物中的变量在规范中定义。A）由环己烯酮衍生物组成的基团或B）由4-杂环氧基苯氧乙酸衍生物组成的基团。

  公开号：

  US05491123A1

文献信息

• Substituted pyrido[2, 3-dipyrimidines as antidotes for herbicidal
  申请人：BASF Aktiengesellschaft

  公开号：US05597776A1

  公开（公告）日：1997-01-28

  Herbicides containing at least one substituted pyrido[2,3-d]pyrimidine I ##STR1## or a plant-tolerated salt of those compounds I in which at least one of the substituents R.sup.1 to R.sup.5 is an acidic or a basic group, and at least one herbicidal active ingredient selected from A) the group consisting of the cyclohexenone derivatives II, or B) the group consisting of the 2-(heteroaryloxy)- or 2-(4-aryloxy)-phenoxycarboxylic acid derivative.

  含有至少一种取代的吡啶并[2,3-d]嘧啶I ## STR1 ## 的除草剂，或者是这些化合物I的植物耐受盐，其中至少有一个取代基R.sup.1到R.sup.5是酸性或者碱性基团，并且至少有一种除草活性成分被选中，选择自A)环己烯酮衍生物II组，或者B)2-(杂环氧基)-或2-(4-芳氧基)-苯氧基羧酸衍生物组。
• Cyclohexenone oxime ethers, their preparation, intermediates for their
  申请人：BASF Aktiengesellschaft

  公开号：US05563114A1

  公开（公告）日：1996-10-08

  Cyclohexenone oxime ethers of the general formula I ##STR1## where R.sup.1 is alkyl, A is unsubstituted or substituted C.sub.3 -, C.sub.5 - or C.sub.6 -alkylene or C.sub.3 -, C.sub.5 - or C.sub.6 -alkenylene, X is NO.sub.2, CN, halogen, alkyl, alkoxy, phenoxy, alkylthio, haloalkyl, haloalkoxy, carboxyl, alkoxycarbonyl, unsubstituted or substituted benzyloxycarbonyl and/or unsubstituted or substituted phenyl, n is 0-3 or 1-5 where X is halogen, R.sup.2 is alkoxy-alkyl or alkylthio-alkyl, unsubstituted or substituted cycloalkyl or cycloalkenyl, an unsubstituted or substituted 5-membered saturated heterocyclic structure having one or two oxygen and/or sulfur atoms as hetero atoms, an unsubstituted or substituted 6-membered or 7-membered heterocyclic structure having up to two oxygen and/or sulfur atoms and up to two double bonds, an unsubstituted or substituted 5-membered heteroaromatic having up to two nitrogen atoms and one oxygen atom or one sulfur atom, or unsubstituted or substituted phenyl or pyridyl, and their agriculturally useful salts and esters of C.sub.1 -C.sub.10 -carboxylic acids and inorganic acids, processes and intermediates for their preparation, and their use as herbicides.

  通式I的环己烯酮肟醚化合物，其中R1为烷基，A为未取代或取代的C3-，C5-或C6-烷基或C3-，C5-或C6-烯基，X为NO2，CN，卤素，烷基，烷氧基，苯氧基，烷硫基，卤代烷基，卤代烷氧基，羧基，烷氧羰基，未取代或取代的苯甲氧羰基和/或未取代或取代的苯基，n为0-3或1-5，其中X为卤素，R2为烷氧基烷基或烷硫基烷基，未取代或取代的环烷基或环烯基，未取代或取代的具有一个或两个氧和/或硫原子作为杂原子的5元饱和杂环结构，未取代或取代的具有最多两个氧和/或硫原子和最多两个双键的6元或7元杂环结构，未取代或取代的具有最多两个氮原子和一个氧原子或一个硫原子的5元杂芳环，或未取代或取代的苯基或吡啶基，以及它们的C1-C10羧酸和无机酸的农业有用的盐和酯，制备它们的过程和中间体，以及它们作为除草剂的用途。