2-[1-(4-(4-Fluorophenyl)-but-3-ynyloximino)-butyl]-3-hydroxy-5-tetrahydropyran-4-ylcyclohex-2enone | 138487-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-[1-(4-(4-Fluorophenyl)-but-3-ynyloximino)-butyl]-3-hydroxy-5-tetrahydropyran-4-ylcyclohex-2enone
• 英文别名: 2-[1-(4-(4-Fluorophenyl)-but-3-ynyloximino)-butyl]-3-hydroxy-5-tetrahydropyran-4-ylcyclohex-2-enone；2-[N-[4-(4-fluorophenyl)but-3-ynoxy]-C-propylcarbonimidoyl]-3-hydroxy-5-(oxan-4-yl)cyclohex-2-en-1-one
• CAS: 138487-50-0
• 化学式: C₂₅H₃₀FNO₄
• 分子量: 427.516
• InChiKey: DVASSWSQAPGDRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  68.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(4-fluorophenyl)-but-3-ynoxyamine 、 2-butyryl-3-hydroxy-5-(2H-tetrahydropyran-4-yl)-2-cyclohexen-1-one 以 甲醇 、 水 为溶剂， 以5.2 g (81.2%)的产率得到2-[1-(4-(4-Fluorophenyl)-but-3-ynyloximino)-butyl]-3-hydroxy-5-tetrahydropyran-4-ylcyclohex-2enone
  参考文献：
  名称：

  Cyclohexenone oxime ethers, their preparation, intermediates for their

  摘要：

  环己烯酮肟醚I ##STR1## 其中R.sup.1是C.sub.1-C.sub.6-烷基，A是未取代或取代的C.sub.3-C.sub.6-炔基，Z是未取代或取代的苯基，未取代或取代的有一或两个氧和硫的杂原子的6-或7-成员饱和或单不饱和或二不饱和杂环结构，其农业上有用的C.sub.1-C.sub.10-羧酸盐和无机酸酯，适用于除草剂。

  公开号：

  US05250505A1

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。
• Herbicides containing 3-aminobenzo(B)thiophenes as antidotes
  申请人：BASF Aktiengesellschaft

  公开号：US05491123A1

  公开（公告）日：1996-02-13

  Herbicides contain one or more antagonistic 3-aminobenzo[b]thiophenes I ##STR1## wherein the variables on the compound of formula I are defined in the specification. A) the group consisting of the cyclohexenone derivatives or B) the group consisting of the 4-hetaryloxyphenoxyacetic acid derivatives.

  除草剂中含有一种或多种对抗性的3-氨基苯并[b]噻吩I ##STR1## 其中公式I中的变量在说明书中有定义。A）由环己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。
• Cyclohexenone oxime ethers and their use as herbicides
  申请人：BASF Aktiengesellschaft

  公开号：US05374609A1

  公开（公告）日：1994-12-20

  Cyclohexenone oxime ethers I ##STR1## where R.sup.1 is C.sub.1 -C.sub.6 -alkyl, A is unsubstituted or substituted C.sub.3 -C.sub.6 -alkynylene, Z is unsubstituted or substituted phenyl or a 5-membered or 6-membered heteroaromatic and R.sup.2 is C.sub.1 -C.sub.4 -alkoxy-C.sub.1 -C.sub.6 -alkyl, C.sub.1 -C.sub.4 -alkylthio-C.sub.1 -C.sub.6 -alkyl, unsubstituted or substituted C.sub.3 -C.sub.7 -cycloalkyl or C.sub.5 -C.sub.7 -cycloalkenyl, an unsubstituted or substituted 5-membered saturated heterocyclic structure having one or two hetero atoms, an unsubstituted or substituted 6-membered or 7-membered saturated or monounsaturated or diunsaturated heterocyclic structure having one or two hetero atoms, an unsubstituted or substituted 5-membered heteroaromatic having one to three hetero atoms 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, are suitable as herbicides.

  环己烯酮肟醚I，其中R1是C1-C6烷基，A是未取代或取代的C3-C6炔基亚基，Z是未取代或取代的苯基或5元或6元杂芳基，R2是C1-C4烷氧基-C1-C6烷基，C1-C4烷硫基-C1-C6烷基，未取代或取代的C3-C7环烷基或C5-C7环烯基，未取代或取代的含有一个或两个杂原子的5元饱和杂环结构，未取代或取代的含有一个或两个杂原子的6元或7元饱和或单不饱和或双不饱和杂环结构，未取代或取代的含有一到三个杂原子的5元杂芳基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上有用的盐和酯，可用作除草剂。