2-(N'-Phenyl-hydrazino)-hexanenitrile | 1027251-10-0

• 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: 2-(N'-Phenyl-hydrazino)-hexanenitrile
• 英文别名: 2-(2-Phenylhydrazinyl)hexanenitrile
• CAS: 1027251-10-0
• 化学式: C₁₂H₁₇N₃
• 分子量: 203.287
• InChiKey: FOHZSKRGEDVNNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(N'-Phenyl-hydrazino)-hexanenitrile 在 palladium on activated charcoal sodium hydride 、 环戊烯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 10.5h， 生成 3-Butyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel palladium catalyzed dehydrogenation of α-hydrazinonitriles to hydrazonoyl cyanides using cyclopentene. Synthesis of 1H-pyrazole-4-carboxylate

  摘要：

  Palladium charcoal catalyzed dehydrogenation of alpha-hydrazinonitriles has been found to give hydrazonoyl cyanides in the presence of cyclopentene in high yields, which was applied to the synthesis of 1H-pyrazole-4-carboxylates. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02028-x
• 作为产物：
  描述：

  pentanal N-phenylhydrazone 、 氰化钠 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 2-(N'-Phenyl-hydrazino)-hexanenitrile
  参考文献：
  名称：

  Novel palladium catalyzed dehydrogenation of α-hydrazinonitriles to hydrazonoyl cyanides using cyclopentene. Synthesis of 1H-pyrazole-4-carboxylate

  摘要：

  Palladium charcoal catalyzed dehydrogenation of alpha-hydrazinonitriles has been found to give hydrazonoyl cyanides in the presence of cyclopentene in high yields, which was applied to the synthesis of 1H-pyrazole-4-carboxylates. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02028-x

文献信息

• Novel palladium catalyzed dehydrogenation of α-hydrazinonitriles to hydrazonoyl cyanides using cyclopentene. Synthesis of 1H-pyrazole-4-carboxylate
  作者：Yong Hae Kim、Jun Young Choi

  DOI：10.1016/s0040-4039(96)02028-x

  日期：1996.11

  Palladium charcoal catalyzed dehydrogenation of alpha-hydrazinonitriles has been found to give hydrazonoyl cyanides in the presence of cyclopentene in high yields, which was applied to the synthesis of 1H-pyrazole-4-carboxylates. Copyright (C) 1996 Elsevier Science Ltd