2-(6-nitro-2-naphthyl)hydrazinecarboxylate, ethyl ester | 220032-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(6-nitro-2-naphthyl)hydrazinecarboxylate, ethyl ester
• 英文别名: ethyl N-[(6-nitronaphthalen-2-yl)amino]carbamate
• CAS: 220032-04-2
• 化学式: C₁₃H₁₃N₃O₄
• 分子量: 275.264
• InChiKey: JCEPGVLVOVRDKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(6-nitro-2-naphthyl)hydrazinecarboxylate, ethyl ester 在 palladium on activated charcoal sodium azide 、 氢气 、 sodium nitrite 作用下， 以 溶剂黄146 为溶剂， 生成 (6-azido-2-naphthyl)diazenecarboxylate, ethyl ester
  参考文献：
  名称：

  Synthesis of Photoaffinity Probes for Heme-Containing Proteins

  摘要：

  Aryldiazenes with a second, photoactivatable, azide substituent on the aryl ring have been synthesized as active site probes for heme proteins of unknown active site structure. The probes include most of the possible isomers of the phenyl, naphthyl, and biphenyl ring systems. A selection of the probes has been shown to react with the model protein P450(cam) to give (arylazido)iron (FeArN3) complexes, a prerequisite for subsequent affinity labeling of the protein.

  DOI：

  10.1021/jo981095e
• 作为产物：
  描述：

  6-硝基-2-萘胺 、 氯甲酸乙酯 在 吡啶 、 盐酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 生成 2-(6-nitro-2-naphthyl)hydrazinecarboxylate, ethyl ester
  参考文献：
  名称：

  Synthesis of Photoaffinity Probes for Heme-Containing Proteins

  摘要：

  Aryldiazenes with a second, photoactivatable, azide substituent on the aryl ring have been synthesized as active site probes for heme proteins of unknown active site structure. The probes include most of the possible isomers of the phenyl, naphthyl, and biphenyl ring systems. A selection of the probes has been shown to react with the model protein P450(cam) to give (arylazido)iron (FeArN3) complexes, a prerequisite for subsequent affinity labeling of the protein.

  DOI：

  10.1021/jo981095e

文献信息

• Synthesis of Photoaffinity Probes for Heme-Containing Proteins
  作者：Richard A. Tschirret-Guth、Paul R. Ortiz de Montellano

  DOI：10.1021/jo981095e

  日期：1998.12.1

  Aryldiazenes with a second, photoactivatable, azide substituent on the aryl ring have been synthesized as active site probes for heme proteins of unknown active site structure. The probes include most of the possible isomers of the phenyl, naphthyl, and biphenyl ring systems. A selection of the probes has been shown to react with the model protein P450(cam) to give (arylazido)iron (FeArN3) complexes, a prerequisite for subsequent affinity labeling of the protein.