N-(4-Chlorobenzyl)-N'-benzoylhydrazine | 14581-54-5

• 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-(4-Chlorobenzyl)-N'-benzoylhydrazine
• 英文别名: Benzoesaeure-2-(p-chlor-benzyl)-hydrazid；N'-[(4-chlorophenyl)methyl]benzohydrazide
• CAS: 14581-54-5
• 化学式: C₁₄H₁₃ClN₂O
• 分子量: 260.723
• InChiKey: IVDUXHXOBILOEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-Chlorobenzyl)-N'-benzoylhydrazine 在 间氯过氧苯甲酸 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 7.0h， 生成 benzoic acid (4-chlorobenzylidene)hydrazide
  参考文献：
  名称：

  Metabolic and chemical studies on N-(4-chlorobenzyl)-N′-benzoylhydrazine

  摘要：

  The in vitro hepatic microsomal metabolism of N-(4-chlorobenzyl)-N'-benzoylhydrazine (CBBAH), a model compound representing N-alkyl substituted hydrazides, was studied using hepatic washed rat microsomal preparations fortified with NADPH to identify the possible N-oxidative, N-dealkylated and hydrolytic metabolites. CBBAH and its potential metabolites were prepared, characterized using spectroscopic techniques and then separated using a reversed phase HPLC system with UV detection at 254 nm. CBBAH was chemically converted to the corresponding hydrazone by m-chloroperbenzoic acid (m-CPBA) oxidation. CBBAH was incubated with rat microsomal preparations in the presence of NADPH, extracted into dichloromethane and evaporated finally under nitrogen. The TLC and HPLC results from the metabolic experiments showed that CBBAH produced the corresponding hydrolytic and N-dealkylated metabolites together with the corresponding hydrazone.

  DOI：

  10.1016/s0014-827x(00)00077-x
• 作为产物：
  描述：

  苯甲酰肼 、 对氯苄胺 以 乙醇 为溶剂， 反应 4.0h， 生成 N-(4-Chlorobenzyl)-N'-benzoylhydrazine
  参考文献：
  名称：

  Metabolic and chemical studies on N-(4-chlorobenzyl)-N′-benzoylhydrazine

  摘要：

  The in vitro hepatic microsomal metabolism of N-(4-chlorobenzyl)-N'-benzoylhydrazine (CBBAH), a model compound representing N-alkyl substituted hydrazides, was studied using hepatic washed rat microsomal preparations fortified with NADPH to identify the possible N-oxidative, N-dealkylated and hydrolytic metabolites. CBBAH and its potential metabolites were prepared, characterized using spectroscopic techniques and then separated using a reversed phase HPLC system with UV detection at 254 nm. CBBAH was chemically converted to the corresponding hydrazone by m-chloroperbenzoic acid (m-CPBA) oxidation. CBBAH was incubated with rat microsomal preparations in the presence of NADPH, extracted into dichloromethane and evaporated finally under nitrogen. The TLC and HPLC results from the metabolic experiments showed that CBBAH produced the corresponding hydrolytic and N-dealkylated metabolites together with the corresponding hydrazone.

  DOI：

  10.1016/s0014-827x(00)00077-x

文献信息

• Metabolic and chemical studies on N-(4-chlorobenzyl)-N′-benzoylhydrazine
  作者：Ş.Güniz Küçükgüzel、İlkay Küçükgüzel、Mert Ülgen

  DOI：10.1016/s0014-827x(00)00077-x

  日期：2000.11

  The in vitro hepatic microsomal metabolism of N-(4-chlorobenzyl)-N'-benzoylhydrazine (CBBAH), a model compound representing N-alkyl substituted hydrazides, was studied using hepatic washed rat microsomal preparations fortified with NADPH to identify the possible N-oxidative, N-dealkylated and hydrolytic metabolites. CBBAH and its potential metabolites were prepared, characterized using spectroscopic techniques and then separated using a reversed phase HPLC system with UV detection at 254 nm. CBBAH was chemically converted to the corresponding hydrazone by m-chloroperbenzoic acid (m-CPBA) oxidation. CBBAH was incubated with rat microsomal preparations in the presence of NADPH, extracted into dichloromethane and evaporated finally under nitrogen. The TLC and HPLC results from the metabolic experiments showed that CBBAH produced the corresponding hydrolytic and N-dealkylated metabolites together with the corresponding hydrazone.