Methanesulfonic acid 2-(3-methanesulfonyloxy-propyl)-pent-4-enyl ester | 902240-73-7

• 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: Methanesulfonic acid 2-(3-methanesulfonyloxy-propyl)-pent-4-enyl ester
• CAS: 902240-73-7
• 化学式: C₁₀H₂₀O₆S₂
• 分子量: 300.397
• InChiKey: RRBWMJVVVDYPFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  18.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Methanesulfonic acid 2-(3-methanesulfonyloxy-propyl)-pent-4-enyl ester 在 Grubbs' Ru(IV) catalyst 、 potassium tert-butylate 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (E)-4-[(1S,3R)-3-(4-Chloro-benzenesulfonyl)-3-(2,5-difluoro-phenyl)-cyclohexyl]-but-2-enoic acid methyl ester
  参考文献：
  名称：

  3-Substituted gem-cyclohexane sulfone based γ-secretase inhibitors for Alzheimer’s disease: Conformational analysis and biological activity

  摘要：

  Previously, chemistry effort on the gem-cyclohexane series of gamma-secretase inhibitors has focused on the 4-position of the cyclohexane ring. Recently chemistry has been directed towards the 3-position and substitution here has also provided compounds with high gamma-secretase activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.019
• 作为产物：
  描述：

  delta-戊内酯 在 锂硼氢 、 N,N-二异丙基乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 Methanesulfonic acid 2-(3-methanesulfonyloxy-propyl)-pent-4-enyl ester
  参考文献：
  名称：

  3-Substituted gem-cyclohexane sulfone based γ-secretase inhibitors for Alzheimer’s disease: Conformational analysis and biological activity

  摘要：

  Previously, chemistry effort on the gem-cyclohexane series of gamma-secretase inhibitors has focused on the 4-position of the cyclohexane ring. Recently chemistry has been directed towards the 3-position and substitution here has also provided compounds with high gamma-secretase activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.019