1-[(S)-2-hydroxy-2-phenylethyl]-1-methyl-[(2S,5S)-2,5-bis(methoxymethyl)]pyrrolidinium trifluoromethanesulfonate | 1353017-38-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 1-[(S)-2-hydroxy-2-phenylethyl]-1-methyl-[(2S,5S)-2,5-bis(methoxymethyl)]pyrrolidinium trifluoromethanesulfonate
• CAS: 1353017-38-5
• 化学式: CF₃O₃S*C₁₇H₂₈NO₃
• 分子量: 443.485
• InChiKey: AIIIMCOAVVMARR-JDFMPCBTSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  95.89
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (S)-环氧苯乙烷 在 calcium(II) trifluoromethanesulfonate 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 75.0h， 生成 1-[(S)-2-hydroxy-2-phenylethyl]-1-methyl-[(2S,5S)-2,5-bis(methoxymethyl)]pyrrolidinium trifluoromethanesulfonate
  参考文献：
  名称：

  C2-Symmetric Pyrrolidine-Based Chiral Ammonium Salts as a Phase-Transfer Catalyst

  摘要：

  Chiral pyrrolidinium salts having substituents at the alpha, alpha' positions were synthesized to develop a chiral phase-transfer catalyst which have more simplified structure. The catalytic function of these synthesized catalysts was evaluated using asymmetric benzylation of N-(diphenylmethylene)glycine tert-butyl ester, and alpha,alpha'-disubstituded pyrrolidinium salts having an alkyl chain with a hydroxyl group at a chiral center were found to afford moderate enantioselectivity.

  DOI：

  10.3987/com-11-12254