N'-tert-Butyl-N'-(3-methyl-benzoyl)-hydrazinecarboxylic acid phenyl ester | 496967-37-4

• 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: N'-tert-Butyl-N'-(3-methyl-benzoyl)-hydrazinecarboxylic acid phenyl ester
• 英文别名: Phenyl 2-tert-butyl-2-(3-methylbenzoyl)hydrazinecarboxylate；phenyl N-[tert-butyl-(3-methylbenzoyl)amino]carbamate
• CAS: 496967-37-4
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: JSPWKGBZCAJUNY-UHFFFAOYSA-N

物化性质

• 熔点：
  150-151 °C(Solv: ethanol (64-17-5))
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 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

• 作为反应物：
  描述：

  N'-tert-Butyl-N'-(3-methyl-benzoyl)-hydrazinecarboxylic acid phenyl ester 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以73%的产率得到N'-t-butyl-N'-(3-methylbenzoyl)hydrazine
  参考文献：
  名称：

  A Convenient Synthesis of NovelN′-tert-Butyl-N′-Substituted Benzoyl-N-(Substituted Phenyl)aminocarbonylhydrazines and Their Derivatives

  摘要：

  N-tert-butyl-N-substituted benzoylhydrazines were prepared in two convenient procedures with good yields, subsequent reaction with substituted phenylisocyanates in 1,2-dichloroethane provided a series of novel N'-tert-butyl-N'-substituted benzoyl-N-(substituted phenyl)aminocarbonylhydrazines. Further treatment with oxalyl chloride gave their derivatives in good yields. The title compounds exhibit moderate larvicidal activities and anticancer activities.

  DOI：

  10.1081/scc-120027261
• 作为产物：
  描述：

  氯甲酸苯酯 在 sodium hydroxide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N'-tert-Butyl-N'-(3-methyl-benzoyl)-hydrazinecarboxylic acid phenyl ester
  参考文献：
  名称：

  A Convenient Synthesis of NovelN′-tert-Butyl-N′-Substituted Benzoyl-N-(Substituted Phenyl)aminocarbonylhydrazines and Their Derivatives

  摘要：

  N-tert-butyl-N-substituted benzoylhydrazines were prepared in two convenient procedures with good yields, subsequent reaction with substituted phenylisocyanates in 1,2-dichloroethane provided a series of novel N'-tert-butyl-N'-substituted benzoyl-N-(substituted phenyl)aminocarbonylhydrazines. Further treatment with oxalyl chloride gave their derivatives in good yields. The title compounds exhibit moderate larvicidal activities and anticancer activities.

  DOI：

  10.1081/scc-120027261