溴氰菊酯 | 52820-00-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 溴氰菊酯
• 中文别名: 凯素灵；(S)-alpha-氰基-3-苯氧苄基-(+)-顺-3-(2,2-二溴乙烯基)-2,2-二甲基环丙烷羧酸酯
• 英文名称: deltamethrin
• 英文别名: (-)-α-cyano-3-phenoxybenzyl (+)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate；Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester；[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• CAS: 52820-00-5
• 化学式: C₂₂H₁₉Br₂NO₃
• mdl: MFCD00055479
• 分子量: 505.206
• InChiKey: OWZREIFADZCYQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯氧基苯甲醛 、 2,2-dimethyl-3-(2',2'-dibromovinyl)-cyclopropane-1-carboxylic acid chloride 以 四氢呋喃 、 水 为溶剂， 以86%的产率得到溴氰菊酯
  参考文献：
  名称：

  Preparation of esters

  摘要：

  .alpha.-氰基酯通过在基本亲水脱脂溶剂和水溶性氰化盐的水溶液的均相混合物中，将酰卤与醛反应制备。

  公开号：

  US04299776A1

文献信息

• Fungicidal oxime carbamates
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0397345A1

  公开（公告）日：1990-11-14

  A method of controlling plant diseases, especially fungi, using oxime carbamates and analogs thereof and novel compounds within the class. Reason: Rule 8.1.i PCT.

  一种使用肟基氨基甲酸酯及其类似物以及该类中的新颖化合物来控制植物病害，尤其是真菌的方法。 原因：PCT规则8.1.i。
• [EN] AGRICULTURAL CHEMICALS<br/>[FR] PRODUITS CHIMIQUES AGRICOLES
  申请人：REDX PHARMA LTD

  公开号：WO2013136073A1

  公开（公告）日：2013-09-19

  The present invention relates to derivatives of compounds which are known to be of use in the field of agriculture. These derivatives are differentiated from the parent active compound by virtue of being redox derivatives of the active compound. This means that one or more of the functional groups in the active compound has been converted to another group in one or more changes one or more of which may be considered to represent a change of oxidation state relative to the groups in the original compound. We refer to these compounds generally as redox derivatives. The compounds are of use as insecticides, herbicides and insect repellents.

  本发明涉及与已知在农业领域中有用的化合物衍生物。这些衍生物通过成为活性化合物的氧化还原衍生物而与母体活性化合物区分开来。这意味着活性化合物中的一个或多个官能团已被转化为另一个官能团，其中一个或多个变化可能被认为代表相对于原始化合物中的官能团的氧化状态的变化。我们通称这些化合物为氧化还原衍生物。这些化合物可用作杀虫剂、除草剂和驱虫剂。
• AGRICULTURAL CHEMICALS
  申请人：Redx Pharma Ltd.

  公开号：US20150094474A1

  公开（公告）日：2015-04-02

  The present invention relates to derivatives of compounds which are known to be of use in the field of agriculture. These derivatives are differentiated from the parent active compound by virtue of being redox derivatives of the active compound. This means that one or more of the functional groups in the active compound has been converted to another group in one or more changes one or more of which may be considered to represent a change of oxidation state relative to the groups in the original compound. We refer to these compounds generally as redox derivatives. The compounds are of use as insecticides, herbicides and insect repellents.

  本发明涉及与农业领域中已知有用的化合物衍生物。这些衍生物通过成为活性化合物的氧化还原衍生物而与母体活性化合物区分开来。这意味着活性化合物中的一个或多个官能团已经转化为另一个官能团，其中一个或多个转变可能被认为代表相对于原始化合物中的官能团的氧化状态的变化。我们通常将这些化合物称为氧化还原衍生物。这些化合物可用作杀虫剂、除草剂和驱虫剂。
• PEST CONTROL COMPOSITION
  申请人：Ikari Kaori

  公开号：US20130131116A1

  公开（公告）日：2013-05-23

  A pest control composition comprising a hydrazide compound shown by formula (1) below (in the formula, G, M, Q 1 , Q 2 , Q 3 , Q 4 , R 2 , R 4 , R 5 , R 6 and m have the same meanings described in the specification) and an ester compound shown by formula (2) below (in the formula, X 10 , X 20 , X 30 and X 40 have the same meanings described in the specification) and a method for controlling pests whereby an effective dose of the hydrazide compound represented by formula (1) and the ester compound represented by formula (II) is applied to a pest or a pest habitat.

  一种杀虫组合物，包括下面的式（1）所示的腙化合物（在该式中，G、M、Q1、Q2、Q3、Q4、R2、R4、R5、R6和m具有规范中描述的相同含义）和下面的式（2）所示的酯化合物（在该式中，X10、X20、X30和X40具有规范中描述的相同含义），以及一种控制害虫的方法，通过向害虫或害虫栖息地施加由式（1）代表的腙化合物和由式（II）代表的酯化合物的有效剂量。
• Process for the preparation of alpha-cyanobenzyl esters
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0003242A1

  公开（公告）日：1979-08-08

  A process for the preparation of alpha-cyanobenzyl esters of general formula (I): characterized in that a carboxylic acid halide of general formula (II): is reacted with an alpha-cyanobenzyi alcohol of general formula (III): in the presence of a Lewis acid catalyst, wherein in the general formulae A is an optionally-substituted aralkyl, alkyl or cycloalkyl group containing up to 24 carbon atoms; X is an alkyl, alkenyl, aralkyl or aryloxy group containing up to 10 carbon atoms; n is an integer of 1 to 3; and halide is bromine or chlorine.

  一种通式(I)的α-氰基苄酯的制备方法： 其特征在于，通式（II）的羧酸卤化物 与通式（III）的α-氰基苯甲醇反应： 在路易斯酸催化剂存在下，其中通式中的 A 是含有最多 24 个碳原子的任选取代的芳基、烷基或环烷基；X 是含有最多 10 个碳原子的烷基、烯基、芳基或芳氧基；n 是 1 至 3 的整数；卤化物是溴或氯。

表征谱图