dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2-benzyl-5-(4-methoxyphenyl)pyrrolidine-2,4-dicarboxylate | 1349083-19-7

• 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: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2-benzyl-5-(4-methoxyphenyl)pyrrolidine-2,4-dicarboxylate
• CAS: 1349083-19-7
• 化学式: C₃₀H₃₀N₂O₆S
• 分子量: 546.644
• InChiKey: BVWOOAZOZCXCNG-QRQMUESOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  nickel diacetate 、 dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2-benzyl-5-(4-methoxyphenyl)pyrrolidine-2,4-dicarboxylate 以 甲醇 、 二氯甲烷 为溶剂， 以87%的产率得到1-benzoylaminocarbothioyl-2-benzyl-5-(4-methoxyphenyl)pyrrolidine-2,4-dicarboxylic acid dimethyl ester Ni(II) complex
  参考文献：
  名称：

  Synthesis of Ni(II), Pd(II) and Cu(II) metal complexes of novel highly functionalized aroylaminocarbo-N-thioyl pyrrolidines and their activity against fungi and yeast

  摘要：

  A series of Ni(II), Pd(II) and Cu(II) metal complexes of highly functionalized aroylaminocarbo-N-thioyl pyrrolidines were prepared and characterized by microanalysis, spectroscopic methods, magnetic susceptibility measurements and single crystal X-ray diffraction studies. The antifungal activity of the metal complexes against the yeast Saccharomyces cerevisae and against the fungus Penicillium digitatum was studied. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.028

文献信息

• Polysubstituted Fused Ring Bicyclic Thiohydantoins from Aminocarbo-N-thioylpyrrolidines Derived from Azomethine Ylide 1,3-Dipolar Cycloadditions
  作者：H. Ali Döndaş、Yahya Nural、Ronald Grigg、Ertan Şahin

  DOI：10.3987/com-11-12276

  日期：——

  Highly substituted bicyclic thiohydantoins fused to pyrrolidines were prepared from aminocarbo-N-thioylpyrrolidines derived from alpha-amino acid esters via imine azomethine ylide 1,3-dipolar cycloadditions and subsequent reaction with aroylisothiocyanates. Aminocarbo-N-thioylpyrrolidines efficiently undergo cyclisation in the presence of sodium methoxide to form bicyclic N-substituted thiohydantoins with concomitant cleavage of the N-acyl group in good to excellent yield. And also some interesting both regiospecific and stereospecific rearrangement to the bicyclic fused thiocarbamoil pyrrolidine and bicyclic thiohydantoin were observed.