Orthobenzoic acid, p-cyano-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol | 97720-14-4

• 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: Orthobenzoic acid, p-cyano-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
• 英文别名: 4-(4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile
• CAS: 97720-14-4
• 化学式: C₁₆H₁₉NO₃
• 分子量: 273.33
• InChiKey: SRTDSGMDDPOYGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• A class of pesticides comprising 1,4-bis-substituted-2,6,7-trioxabicyclo(2.2.2)octanes
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：EP0152229A2

  公开（公告）日：1985-08-21

  A pesticidal composition comprising a compound having the formula R-C(CH2O)3C-X wherein R and X are each organic substituents and wherein the compound has an LD50, in micrograms of compound per gram of body weight of Musca domestica, of less than about 400 and or an LD50 in the presence of synergist of less than about 60 is disclosed along with its use in killing pests. Pesticidal activity has been found against a broad range of types of insects. The pesticidal activity of the composition is strongly enhanced by the use of a selected synergist.

  本发明公开了一种杀虫组合物，该组合物包含一种具有式 R-C(CH2O)3C-X 的化合物，其中 R 和 X 分别为有机取代基，并且该化合物在每克家蝇（Musca domestica）体重中的半数致死剂量（以微克计）小于约 400，或在增效剂存在下的半数致死剂量小于约 60。已发现其对多种类型的昆虫具有杀虫活性。该组合物的杀虫活性通过使用一种选定的增效剂而大大增强。
• Pesticidal formulations
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0235979B1

  公开（公告）日：1989-05-31
• [EN] A NEW CLASS OF PESTICIDES COMPRISING 1,4-BIS-SUBSTITUTED-2,6,7-TRIOXABICYCLO (2.2.2.) OCTANES
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：WO1985003203A1

  公开（公告）日：1985-08-01

  (EN) A pesticidal composition comprising a compound having the formula R-C(CH2O)3C-X wherein R and X are each organic substituents and wherein the compound has an LD50, in micrograms of compound per gram of body weight of $i(Musca domestica), of less than about 400 and/or an LD50 in the presence of synergist of less than about 60 with its use in killing pests. Pesticidal activity has been found against a broad range of types of insects. The pesticidal activity of the composition is strongly enhanced by the use of a selected synergist.(FR) Composition pesticide comprenant un composé de formule R-C(CH2O)3C-X, où R et X sont chacun des substituants organiques et où le composé présente un LD50, en microgrammes de composé par gramme de poids du corps de la $i(Musca Domestica), inférieur à 400 environ et/ou un LD50 en présence d'une substance synergique inférieur à 60 environ. Est également décrite l'utilisation de cette composition pour l'élimination des parasites. On a remarqué une activité pesticide contre une large gamme de types d'insectes. L'activité pesticide de cette composition est fortement accrue par l'utilisation d'une substance synergique sélectionnée.