(E)-3-ethyl-2,7-dimethyl-9-ethoxycarbonyl-8-(2-ethoxycarbonyl)ethyl-1,10-dihydro-11H-dipyrrin-1-one | 28857-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-3-ethyl-2,7-dimethyl-9-ethoxycarbonyl-8-(2-ethoxycarbonyl)ethyl-1,10-dihydro-11H-dipyrrin-1-one
• 英文别名: 3-(2-ethoxycarbonyl-ethyl)-5-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-pyrrole-2-carboxylic acid ethyl ester；ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate
• CAS: 28857-31-0
• 化学式: C₂₁H₂₈N₂O₅
• 分子量: 388.464
• InChiKey: QHLGEWFJGYRRAC-GZTJUZNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  97.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 4,5-dimethyl-3-(2-ethoxycarbonylethyl)pyrrole-2-carboxylate 在 ammonium cerium(IV) nitrate 、 三丁基膦 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 7.0h， 生成 (E)-3-ethyl-2,7-dimethyl-9-ethoxycarbonyl-8-(2-ethoxycarbonyl)ethyl-1,10-dihydro-11H-dipyrrin-1-one
  参考文献：
  名称：

  Stable 4E-dipyrrinones

  摘要：

  Dipyrrinones formed by DBU and n-Bu3P-promoted condensation of 5-p-toluene-sulfonylpyrrolinones with pyrrole 2-aldehydes, gave high yields of product with predominantly the E-configuration when the aldehyde had a 5-carboethoxy group. The 4E-dipyrrinones were readily purified by chromatography and were stable in solutions shielded from light. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00617-1

文献信息

• Stable 4E-dipyrrinones
  作者：Stefan E. Boiadjiev、David A. Lightner

  DOI：10.1016/s0040-4020(99)00617-1

  日期：1999.9

  Dipyrrinones formed by DBU and n-Bu3P-promoted condensation of 5-p-toluene-sulfonylpyrrolinones with pyrrole 2-aldehydes, gave high yields of product with predominantly the E-configuration when the aldehyde had a 5-carboethoxy group. The 4E-dipyrrinones were readily purified by chromatography and were stable in solutions shielded from light. (C) 1999 Elsevier Science Ltd. All rights reserved.