1-(2-t-butoxycarbonylamino-2-ethoxycarbonylethyl)-5,5-diethyldipyrromethane | 1426304-31-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(2-t-butoxycarbonylamino-2-ethoxycarbonylethyl)-5,5-diethyldipyrromethane
• 英文别名: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[3-(1H-pyrrol-2-yl)pentan-3-yl]-1H-pyrrol-2-yl]propanoate
• CAS: 1426304-31-5
• 化学式: C₂₃H₃₅N₃O₄
• 分子量: 417.549
• InChiKey: JFVIOLPDGUEFFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 3-bromo-2-(hydroxyimino)propanoate 在 aluminum/mercury amalgam 、 sodium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 26.5h， 生成 1-(2-t-butoxycarbonylamino-2-ethoxycarbonylethyl)-5,5-diethyldipyrromethane
  参考文献：
  名称：

  Functionalization of dipyrromethanes via hetero-Diels–Alder reaction with azo- and nitrosoalkenes

  摘要：

  5,5'-Diethyl- and 5-phenyldipyrromethanes participate in cycloadditions with azo- and nitrosoalkenes giving dipyrromethanes with side chains containing open chain oximes and hydrazones. By controlling reaction stoichiometry it is possible to get mono or 1,9-disubstituted derivatives. The reported methodology gave access to a range of dipyrromethanes with good structural features for various applications. It was demonstrated that reduction of dipyrromethanes containing alpha-oximino ester groups opens the way to new alpha-amino esters. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.032

文献信息

• Functionalization of dipyrromethanes via hetero-Diels–Alder reaction with azo- and nitrosoalkenes
  作者：Nelson A.M. Pereira、Américo Lemos、Arménio C. Serra、Teresa M.V.D. Pinho e Melo

  DOI：10.1016/j.tetlet.2013.01.032

  日期：2013.3

  5,5'-Diethyl- and 5-phenyldipyrromethanes participate in cycloadditions with azo- and nitrosoalkenes giving dipyrromethanes with side chains containing open chain oximes and hydrazones. By controlling reaction stoichiometry it is possible to get mono or 1,9-disubstituted derivatives. The reported methodology gave access to a range of dipyrromethanes with good structural features for various applications. It was demonstrated that reduction of dipyrromethanes containing alpha-oximino ester groups opens the way to new alpha-amino esters. (c) 2013 Elsevier Ltd. All rights reserved.