1,2-bis(5-tert-butoxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrolyl)-ethene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1,2-bis(5-tert-butoxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrolyl)-ethene
• 英文别名: tert-butyl 4-(3-methoxy-3-oxopropyl)-5-[(E)-2-[3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]ethenyl]-3-methyl-1H-pyrrole-2-carboxylate
• 化学式: C₃₀H₄₂N₂O₈
• 分子量: 558.672
• InChiKey: BWWLYJUEZNOCMI-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  40
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,2-bis(5-tert-butoxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrolyl)-ethene 在 palladium on activated charcoal 甲醇 、 magnesium 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以95%的产率得到1,2-bis(5-tert-butoxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrolyl)-ethane
  参考文献：
  名称：

  On the chemistry of pyrrole pigments, XCII: Syntheses of 1,2-bis-pyrrolylethanes

  摘要：

  1,2-bis-Pyrrolylethanes are potential synthesis precursors of b-homorubins. They were synthesized in two ways: by self coupling of a 5-halomethylpyrrole using VCl3/LiAlH4 or by the reduction of 1,2-bis-pyrrolylethenes using Mg-MeOH/Pd-C as catalyst. The yields were 30-40% for the first method and reached 80% for the second one.

  DOI：

  10.1007/bf00813210
• 作为产物：
  描述：

  tert-butyl 5-formyl-3-methyl-4-(2-methoxycarbonylethyl)pyrrole-2-carboxylate 在 吡啶 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以47%的产率得到1,2-bis(5-tert-butoxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrolyl)-ethene
  参考文献：
  名称：

  On the chemistry of pyrrole pigments, XCII: Syntheses of 1,2-bis-pyrrolylethanes

  摘要：

  1,2-bis-Pyrrolylethanes are potential synthesis precursors of b-homorubins. They were synthesized in two ways: by self coupling of a 5-halomethylpyrrole using VCl3/LiAlH4 or by the reduction of 1,2-bis-pyrrolylethenes using Mg-MeOH/Pd-C as catalyst. The yields were 30-40% for the first method and reached 80% for the second one.

  DOI：

  10.1007/bf00813210

文献信息

• On the chemistry of pyrrole pigments, XCII: Syntheses of 1,2-bis-pyrrolylethanes
  作者：Q. -Q. Chen、H. Falk、R. Micura

  DOI：10.1007/bf00813210

  日期：1995.4

  1,2-bis-Pyrrolylethanes are potential synthesis precursors of b-homorubins. They were synthesized in two ways: by self coupling of a 5-halomethylpyrrole using VCl3/LiAlH4 or by the reduction of 1,2-bis-pyrrolylethenes using Mg-MeOH/Pd-C as catalyst. The yields were 30-40% for the first method and reached 80% for the second one.