(1R)-cis-2,2-dimethyl-3-((E)-3-ethoxy-2-fluoro-3-oxo-1-propenyl)-cyclopropanecarboxylic acid | 82536-46-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1R)-cis-2,2-dimethyl-3-((E)-3-ethoxy-2-fluoro-3-oxo-1-propenyl)-cyclopropanecarboxylic acid
• 英文别名: (1R,3R)-3-[(E)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
• CAS: 82536-46-7
• 化学式: C₁₁H₁₅FO₄
• 分子量: 230.236
• InChiKey: GNACAIQZXUOEEU-MMIQFEHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1R,3R)-2,2-dimethyl-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclopropane-1-carboxylic acid 、 (1R)-cis-2,2-dimethyl-3-((E)-3-ethoxy-2-fluoro-3-oxo-1-propenyl)-cyclopropanecarboxylic acid 生成 penta-1,4-diyn-3-yl (1R,3R)-2,2-dimethyl-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氟-2-磷酰基乙酸三乙酯 、 biocartol 生成 (1R)-cis-2,2-dimethyl-3-((E)-3-ethoxy-2-fluoro-3-oxo-1-propenyl)-cyclopropanecarboxylic acid
  参考文献：
  名称：

  MARTEL, J.;TESSIER, J.;TECHE, A.

  摘要：

  DOI：

文献信息

• Maleimide pesticides and compositions thereof
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05607963A1

  公开（公告）日：1997-03-04

  Maleimide pesticides having enhanced efficacy represented by the formula (I), ##STR1## wherein X represents a halogen atom or a hydrogen atom, and R represents an alkyl group a cycloalkyl or haloalkyl group, a pesticidal composition containing the same as an active ingredient, and a process for producing the same.

  具有增强杀虫效果的马来酰亚胺类杀虫剂，其化学式为（I）##STR1## 其中X代表卤素原子或氢原子，R代表烷基、环烷基或卤代烷基，包含其作为活性成分的杀虫剂组合物，以及其制备方法。
• Insecticidal esters
  申请人：Roussel Uclaf

  公开号：US04489093A1

  公开（公告）日：1984-12-18

  Novel esters in all possible isomeric forms of the formula ##STR1## wherein R is selected from the group consisting of (a) optionally unsaturated alkyl of 1 to 8 carbon atoms and optionally unsaturated cycloalkyl or cycloalkyl-alkyl of 3 to 8 carbon atoms optionally substituted with at least one member of the group consisting of halogen, ##STR2## aryl optionally substituted with at least one member of the group consisting of --OH, alkoxy of 1 to 8 carbon atoms, alkyl of 1 to 8 carbon atoms, halogen, ##STR3## R' is alkyl of 1 to 8 carbon atoms, R" and R"' are individually selected from the group consisting of hydrogen and alkyl of 1 to 8 carbon atoms, AlK.sub.1, AlK.sub.2 and AlK.sub.3 are individually alkyl of 1 to 18 carbon atoms (b) aryl of 6 to 14 carbon atoms optionally substituted with at least one substituent selected from the group consisting of --OH, alkoxy of 1 to 8 carbon atoms, alkyl of 1 to 8 carbon atoms, halogen, --OCF.sub.3, --CF.sub.3 and --SCF.sub.3 and (c) heterocycle optionally substituted with at least one member of the group consisting of --OH, alkoxy of 1 to 8 carbon atoms, alkyl of 1 to 8 carbon atoms, halogen, --CF.sub.3, --OCF.sub.3 and --SCF.sub.3, B is selected from the group consisting of optionally unsaturated alkyl of 1 to 18 carbon atoms, optionally unsaturated cycloalkyl of 3 to 18 carbon atoms and the remainder of an alcohol used in synthesis of pyrethrinoid esters, X is halogen and the ethylenic double bond may have Z or E geometry having parasitic activity, especially insecticidal acaricidal and nematocidal activity.

  公式为##STR1##的所有可能异构体的新酯，其中R选择自以下组：(a) 1到8个碳原子的可选不饱和烷基和可选不饱和3到8个碳原子的环烷基或环烷基烷基，可选用以下组的至少一种成员取代：卤素，##STR2##芳基，可选用以下组的至少一种成员取代：--OH、1到8个碳原子的烷氧基、1到8个碳原子的烷基、卤素、##STR3## R'是1到8个碳原子的烷基，R"和R"'分别选择自氢和1到8个碳原子的烷基组，AlK.sub.1、AlK.sub.2和AlK.sub.3分别为1到18个碳原子的烷基；(b) 6到14个碳原子的芳基，可选用以下组的至少一种取代基：--OH、1到8个碳原子的烷氧基、1到8个碳原子的烷基、卤素、--OCF.sub.3、--CF.sub.3和--SCF.sub.3；(c) 可选用以下组的至少一种成员取代的杂环：--OH、1到8个碳原子的烷氧基、1到8个碳原子的烷基、卤素、--CF.sub.3、--OCF.sub.3和--SCF.sub.3，B选择自以下组：1到18个碳原子的可选不饱和烷基、3到18个碳原子的可选不饱和环烷基和用于拟除虫菊酯酯合成的醇的剩余部分，X为卤素，乙烯双键可能具有Z或E几何形状，具有寄生活性，特别是杀虫剂、杀螨剂和杀线虫剂活性。
• Cyclopropane carboxylic esters and acids
  申请人：Roussel Uclaf

  公开号：US04808749A1

  公开（公告）日：1989-02-28

  Novel esters in all possible isomeric forms of the formula ##STR1## wherein R is selected from the group consisting of (a) optionally unsaturated alkyl of 1 to 8 carbon atoms and optionally unsaturated cycloalkyl or cycloalkyl-alkyl of 3 to 8 carbon atoms optionally substituted with at least one member of the group consisting of halogen, --OH, --SH, --OR', --SR', --NO.sub.2, ##STR2## --CN, --SO.sub.3 H, --PO.sub.4 H.sub.2, ##STR3## --SO.sub.2 AlK.sub.2, --SO.sub.3 AlK.sub.3, aryl optionally substituted with at least one member of the group consisting of --OH, alkoxy of 1 to 8 carbon atoms, alkyl of 1 to 8 carbon atoms, halogen, --CF.sub.3, --OCF.sub.3, --SCF.sub.3 and ##STR4## R' is alkyl of 1 to 8 carbon atoms, R" and R"' are individually selected from the group consisting of hydrogen and alkyl of 1 to 8 carbon atoms, AlK.sub.1, AlK.sub.2 and AlK.sub.3 are individually alkyl of 1 to 18 carbon atoms, (b) aryl of 6 to 14 carbon atoms optionally substituted with at least one substitutent selected from the group consisting of --OH, alkoxy of 1 to 8 carbon atoms, alkyl of 1 to 8 carbon atoms, halogen, --OCF.sub.3, --CF.sub.3 and --SCF.sub.3 and (c) heterocycle optionally substituted with at least one member of the group consisting of --OH, alkoxy of 1 to 8 carbon atoms, alkyl of 1 to 8 carbon atoms, halogen, --CF.sub.3, --OCF.sub.3 and --SCF.sub.3, B is selected from the group consisting of optionally unsaturated alkyl of 1 to 18 carbon atoms, optionally unsaturated cycloalkyl of 3 to 18 carbon atoms and the remainder of an alcohol used in synthesis of pyrethrinoid esters, X is halogen and the ethylenic double bond may have Z or E geometry having parasitic activity, especially insecticidal acaricidal and nematocidal activity.

  公式为##STR1##，其中R选自以下组合：(a) 选择1至8个碳原子的可选不饱和烷基和可选不饱和3至8个碳原子的环烷基或环烷基烷基，可选地被至少一种来自以下组合的成员置换：卤素，-OH，-SH，-OR'，-SR'，-NO.sub.2，##STR2##-CN，-SO.sub.3 H，-PO.sub.4 H.sub.2，##STR3##-SO.sub.2 AlK.sub.2，-SO.sub.3 AlK.sub.3，苯基，可选地被至少一种来自以下组合的成员置换：-OH，1至8个碳原子的烷氧基，1至8个碳原子的烷基，卤素，-CF.sub.3，-OCF.sub.3，-SCF.sub.3和##STR4##，R'是1至8个碳原子的烷基，R"和R"'分别选自氢和1至8个碳原子的烷基，AlK.sub.1，AlK.sub.2和AlK.sub.3分别为1至18个碳原子的烷基，(b) 选择6至14个碳原子的苯基，可选地被至少一种来自以下组合的取代基置换：-OH，1至8个碳原子的烷氧基，1至8个碳原子的烷基，卤素，-OCF.sub.3，-CF.sub.3和-SCF.sub.3，(c) 可选地被至少一种来自以下组合的取代基置换的杂环，-OH，1至8个碳原子的烷氧基，1至8个碳原子的烷基，卤素，-CF.sub.3，-OCF.sub.3和-SCF.sub.3，B选自以下组合：选择1至18个碳原子的可选不饱和烷基，可选不饱和3至18个碳原子的环烷基和用于拟除虫菊酯酯合成的酒精的剩余部分，X为卤素，乙烯双键可能具有寄生活性，特别是具有杀虫，杀螨和杀线虫的活性。
• Ester Compound and Its Use in Pest Control
  申请人：MORI Tatsuya

  公开号：US20070293565A1

  公开（公告）日：2007-12-20

  An ester compound represented by the formula (I): has excellent pest controlling activity and is useful as an active ingredient for a pest controlling agent.

  化合物(I)的酯类化合物，具有优异的杀虫活性，并可用作杀虫剂的活性成分。
• Ester compound and its use in pest control
  申请人：Sumitomo Chemical Company, Limited

  公开号：US07569603B2

  公开（公告）日：2009-08-04

  An ester compound represented by the formula (I): has excellent pest controlling activity and is useful as an active ingredient for a pest controlling agent.

  化合物式为（I）的酯类化合物具有出色的杀虫活性，并且可用作杀虫剂的活性成分。