3-(1-methyl-2-(1-methyl-2-nitropyrrole-4-carboxamido)-pyrrole-4-carboxamido)propionamidine hydrochloride | 1422269-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-(1-methyl-2-(1-methyl-2-nitropyrrole-4-carboxamido)-pyrrole-4-carboxamido)propionamidine hydrochloride
• CAS: 1422269-87-1
• 化学式: C₁₅H₁₉N₇O₄*ClH
• 分子量: 397.821
• InChiKey: KTTJZPBSSPGMPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  161.07
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-(1-methyl-2-(1-methyl-2-nitropyrrole-4-carboxamido)-pyrrole-4-carboxamido)propionamidine hydrochloride 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 生成 3-(1-methyl-2-(1-methyl-2-aminopyrrole-4-carboxamido)-pyrrole-4-carboxamido)propionamidine hydrochloride
  参考文献：
  名称：

  Synthesis of the new oligopeptide pyrrole derivative isonetropsin and its one pyrrole unit analogue

  摘要：

  We have designed and synthesized isonetropsin and its one pyrrole unit analogue in which the amine and carbonyl groups have been switched in positions 2 and 4, respectively instead of 4 and 2 positions of the natural antibiotic netropsin. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2013.01.076
• 作为产物：
  描述：

  3-(1-methyl-2-aminopyrrole-4-carboxamido)propionamidine hydrobromide 、 1-methyl-5-nitropyrrole-3-carbonyl chloride 在 碳酸氢钠 、 盐酸 作用下， 以 水 为溶剂， 以0.85 g的产率得到3-(1-methyl-2-(1-methyl-2-nitropyrrole-4-carboxamido)-pyrrole-4-carboxamido)propionamidine hydrochloride
  参考文献：
  名称：

  Synthesis of the new oligopeptide pyrrole derivative isonetropsin and its one pyrrole unit analogue

  摘要：

  We have designed and synthesized isonetropsin and its one pyrrole unit analogue in which the amine and carbonyl groups have been switched in positions 2 and 4, respectively instead of 4 and 2 positions of the natural antibiotic netropsin. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2013.01.076