benzyl 4-[(S)-2-(benzyl-1-phenylethylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | 871565-49-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 4-[(S)-2-(benzyl-1-phenylethylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
• 英文别名: benzyl 4-[3-[benzyl-[(1S)-1-phenylethyl]amino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
• CAS: 871565-49-0
• 化学式: C₃₂H₃₄N₂O₃
• 分子量: 494.634
• InChiKey: MNWISMNEMVCYKP-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 4-[(S)-2-(benzyl-1-phenylethylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 4-{2-[Benzyl-((S)-1-phenyl-ethyl)-carbamoyl]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  Dinuclear Zinc(II) Double-Helicates of Homochirally Substituted Bis(dipyrromethene)s

  摘要：

  A series of bis(dipyrromethene)s substituted with aromatic amide and aliphatic ester homochiral auxiliaries have been prepared and complexed with zinc(II) ions to form double-helical dinuclear complexes. CD analysis of the crude complexes revealed that the helicates formed in a diastereo-selective manner. The helicates have been resolved into their constituent M and P helices by HPLC, indicating that the helical sense of the complexes is stable to racemization.

  DOI：

  10.1021/jo051727e
• 作为产物：
  描述：

  benzyl 3,5-dimethyl-4-(propanoic acid)pyrrole-2-carboxylate 、 (S)-(-)-N-苄基-1-苯基-乙胺 在 4-二甲氨基吡啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 benzyl 4-[(S)-2-(benzyl-1-phenylethylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Dinuclear Zinc(II) Double-Helicates of Homochirally Substituted Bis(dipyrromethene)s

  摘要：

  A series of bis(dipyrromethene)s substituted with aromatic amide and aliphatic ester homochiral auxiliaries have been prepared and complexed with zinc(II) ions to form double-helical dinuclear complexes. CD analysis of the crude complexes revealed that the helicates formed in a diastereo-selective manner. The helicates have been resolved into their constituent M and P helices by HPLC, indicating that the helical sense of the complexes is stable to racemization.

  DOI：

  10.1021/jo051727e

文献信息

• Dinuclear Zinc(II) Double-Helicates of Homochirally Substituted Bis(dipyrromethene)s
  作者：Tabitha E. Wood、Avena C. Ross、Nathan D. Dalgleish、Erin D. Power、Alison Thompson、Xiaoming Chen、Yoshio Okamoto

  DOI：10.1021/jo051727e

  日期：2005.11.1

  A series of bis(dipyrromethene)s substituted with aromatic amide and aliphatic ester homochiral auxiliaries have been prepared and complexed with zinc(II) ions to form double-helical dinuclear complexes. CD analysis of the crude complexes revealed that the helicates formed in a diastereo-selective manner. The helicates have been resolved into their constituent M and P helices by HPLC, indicating that the helical sense of the complexes is stable to racemization.