N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine | 858448-70-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
• CAS: 858448-70-1
• 化学式: C₆H₈N₂O
• 分子量: 124.142
• InChiKey: FVWHEHOMDCFRFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  48.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine 在 aluminum (III) chloride 、 对甲苯磺酸 、 N,N'-羰基二咪唑 作用下， 以 硝基甲烷 、 二氯甲烷 、 氯仿 为溶剂， 反应 16.66h， 生成
  参考文献：
  名称：

  Unusual Oxidation in the Course of Synthesis of N-Confused Nickel Tetrahydrobilins

  摘要：

  N-confused Tetrahydrobilins rac-16 and rac-17 were prepared to investigate their cyclization directed to the formation of N-confused chlorins. For achieving the desired cyclization the 5'-position of rac-16 respectively rac-17 was activated by an electron withdrawing cyano function and their 2'-positions were blocked by a methyl group. In addition, the insertion of Ni(II) was accomplished for exercising a template effect during the cyclization process, but the formed nickel complexes rac-18 and rac-19 underwent oxidation to yield oxo-tetrahydrobilins rac-20 and rac-21.

  DOI：

  10.3987/com-10-s(e)104
• 作为产物：
  描述：

  5-甲基-1H-吡咯-2-甲醛 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
  参考文献：
  名称：

  Unusual Oxidation in the Course of Synthesis of N-Confused Nickel Tetrahydrobilins

  摘要：

  N-confused Tetrahydrobilins rac-16 and rac-17 were prepared to investigate their cyclization directed to the formation of N-confused chlorins. For achieving the desired cyclization the 5'-position of rac-16 respectively rac-17 was activated by an electron withdrawing cyano function and their 2'-positions were blocked by a methyl group. In addition, the insertion of Ni(II) was accomplished for exercising a template effect during the cyclization process, but the formed nickel complexes rac-18 and rac-19 underwent oxidation to yield oxo-tetrahydrobilins rac-20 and rac-21.

  DOI：

  10.3987/com-10-s(e)104