[N'-tert-Butyl-N-(4-ethyl-benzoyl)-N'-(3-methyl-benzoyl)-hydrazino]-acetic acid methyl ester

• 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: [N'-tert-Butyl-N-(4-ethyl-benzoyl)-N'-(3-methyl-benzoyl)-hydrazino]-acetic acid methyl ester
• 英文别名: Methyl 2-[[tert-butyl-(3-methylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate
• 化学式: C₂₄H₃₀N₂O₄
• 分子量: 410.513
• InChiKey: BOIJNXASARYWBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N'-t-butyl-N'-(3-methylbenzoyl)hydrazine 在 sodium hydroxide 、 sodium hydride 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 [N'-tert-Butyl-N-(4-ethyl-benzoyl)-N'-(3-methyl-benzoyl)-hydrazino]-acetic acid methyl ester
  参考文献：
  名称：

  <i>N</i>'-<i>tert</i>-Butyl-<i>N</i>'-aroyl-<i>N</i>-(alko×ycarbonylmethyl)-<i>N</i>-aroylhydrazines, a novel nonsteroidal ecdysone agonist: syntheses, insecticidal activity, conformational, and crystal structure analysis

  摘要：

  Seventeen N'-tert-butyl-N'-aroyl-N-(alkoxycarbonylmethyl)-N-aroylhydrazines were synthesized, and their insecticidal activities against armyworm (Leucania separata (Walker)) were tested. The conformation and structure of compound 1b was studied by H-1 NMR spectroscopy and X-ray crystallography. The crystal structure belongs to the orthorhombic system and the N-N bond adopts a gauche conformation, which was assumed to be the active conformation, with a dihedral angle of 69.9 degrees.

  DOI：

  10.1139/cjc-79-3-272

文献信息

• &lt;i&gt;N&lt;/i&gt;'-&lt;i&gt;tert&lt;/i&gt;-Butyl-&lt;i&gt;N&lt;/i&gt;'-aroyl-&lt;i&gt;N&lt;/i&gt;-(alko×ycarbonylmethyl)-&lt;i&gt;N&lt;/i&gt;-aroylhydrazines, a novel nonsteroidal ecdysone agonist: syntheses, insecticidal activity, conformational, and crystal structure analysis
  作者：S. Cao、X. Qian、G. Song

  DOI：10.1139/cjc-79-3-272

  日期：——

  Seventeen N'-tert-butyl-N'-aroyl-N-(alkoxycarbonylmethyl)-N-aroylhydrazines were synthesized, and their insecticidal activities against armyworm (Leucania separata (Walker)) were tested. The conformation and structure of compound 1b was studied by H-1 NMR spectroscopy and X-ray crystallography. The crystal structure belongs to the orthorhombic system and the N-N bond adopts a gauche conformation, which was assumed to be the active conformation, with a dihedral angle of 69.9 degrees.