苯甲酸,3-甲氧基-,2-苯甲酰-1-(1,1-二甲基乙基)酰肼 | 112426-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯甲酸,3-甲氧基-,2-苯甲酰-1-(1,1-二甲基乙基)酰肼
• 英文名称: N'-t-butyl-N-benzoyl-N'-(3-anisoyl)hydrazine
• 英文别名: N'-benzoyl-N-tert-butyl-3-methoxybenzohydrazide
• CAS: 112426-60-5
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: AIYZAZLQAYGEFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N'-tert-butyl-N-benzoylhydrazine 、 间甲氧基苯甲酰氯 在 sodium hydroxide 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 苯甲酸,3-甲氧基-,2-苯甲酰-1-(1,1-二甲基乙基)酰肼
  参考文献：
  名称：

  Quantitative structure-activity analysis of larvicidal 1-(substituted benzoyl)-2-benzoyl-1-tert-butylhydrazines againstChilo suppressalis

  摘要：

  AbstractThe larvicidal activity of a number of 1‐(substituted benzoyl)‐2‐benzoyl–1 ‐ten‐butylhydrazines against the rice stem borer (Chilo suppressalis Walk.) was measured. Variations in the activity were examined quantitatively using physico‐chemical substituent and molecular parameters and regression analysis. The results indicated that the molecular hydrophobicity and the electron‐withdrawing inductive/ field effect of ontho substituents are favourable to larvicidal activity. The bulkiness of substituents at the meta and para positions was unfavourable to activity, substitution at the para position being more unfavourable than that at the meta position in terms of van der Waals' volume. The 2,3–, 2,5‐ and 2,6‐disubstitution patterns were also unfavourable to activity. Reductions in larvicidal activity caused by the 2,6‐,‐ 2,3,5‐ and 2,3,4,5‐substitutions were greater than those induced by the 2,3‐ and 2,5‐disubstitutions. When the sum of contributions from favourable effects is greater than that from unfavourable effects, the larvicidal activity is expected to be superior to that of the unsubstituted compound.

  DOI：

  10.1002/ps.2780410210

文献信息

• Insecticidal N'-substituted-N,N'-diacylhydrazines
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0236618A2

  公开（公告）日：1987-09-16

  This invention is concerned with insecticidal compositions containing N'-substituted-N,N'-diacylhydrazines, methods of using such compositions and with certain of the insecticidal N'-substituted-N,N'-diacylhydrazines which are novel compounds.

  本发明涉及含有 N'-取代-N,N'-二乙酰肼的杀虫组合物、使用此类组合物的方法以及某些杀虫 N'-取代-N,N'-二乙酰肼的新型化合物。
• EP0245950B1
  申请人：——

  公开号：EP0245950B1

  公开（公告）日：1992-06-17
• US4985461A
  申请人：——

  公开号：US4985461A

  公开（公告）日：1991-01-15
• Quantitative structure-activity analysis of larvicidal 1-(substituted benzoyl)-2-benzoyl-1-tert-butylhydrazines against<i>Chilo suppressalis</i>
  作者：Nobuhiro Oikawa、Yoshiaki Nakagawa、Keiichiro Nishimura、Tamio Ueno、Toshio Fujita

  DOI：10.1002/ps.2780410210

  日期：1994.6

  AbstractThe larvicidal activity of a number of 1‐(substituted benzoyl)‐2‐benzoyl–1 ‐ten‐butylhydrazines against the rice stem borer (Chilo suppressalis Walk.) was measured. Variations in the activity were examined quantitatively using physico‐chemical substituent and molecular parameters and regression analysis. The results indicated that the molecular hydrophobicity and the electron‐withdrawing inductive/ field effect of ontho substituents are favourable to larvicidal activity. The bulkiness of substituents at the meta and para positions was unfavourable to activity, substitution at the para position being more unfavourable than that at the meta position in terms of van der Waals' volume. The 2,3–, 2,5‐ and 2,6‐disubstitution patterns were also unfavourable to activity. Reductions in larvicidal activity caused by the 2,6‐,‐ 2,3,5‐ and 2,3,4,5‐substitutions were greater than those induced by the 2,3‐ and 2,5‐disubstitutions. When the sum of contributions from favourable effects is greater than that from unfavourable effects, the larvicidal activity is expected to be superior to that of the unsubstituted compound.