benzyl 3,5-dimethyl-4-[(R)-1-(2-(S)-isopropyl-5-(R)-methyl-cyclohexyloxycarbonyl)-methyl]-1H-pyrrole-2-carboxylate | 871565-64-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: benzyl 3,5-dimethyl-4-[(R)-1-(2-(S)-isopropyl-5-(R)-methyl-cyclohexyloxycarbonyl)-methyl]-1H-pyrrole-2-carboxylate
• 英文别名: benzyl 3,5-dimethyl-4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-1H-pyrrole-2-carboxylate
• CAS: 871565-64-9
• 化学式: C₂₆H₃₅NO₄
• 分子量: 425.568
• InChiKey: PGDBUPVHKLMWOU-FRGLQRNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl 3,5-dimethyl-4-[(R)-1-(2-(S)-isopropyl-5-(R)-methyl-cyclohexyloxycarbonyl)-methyl]-1H-pyrrole-2-carboxylate 在 palladium on activated charcoal 氢溴酸 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 16.33h， 生成
  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 4-ethanoic acid-3,5-dimethylpyrrole-2-carboxylate 、 L-薄荷醇 在 4-二甲氨基吡啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以54%的产率得到benzyl 3,5-dimethyl-4-[(R)-1-(2-(S)-isopropyl-5-(R)-methyl-cyclohexyloxycarbonyl)-methyl]-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.