3-Methanesulfonyloxy-nonanoic acid tert-butyl ester | 198630-51-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Methanesulfonyloxy-nonanoic acid tert-butyl ester
• 英文别名: tert-butyl 3-methylsulfonyloxynonanoate
• CAS: 198630-51-2
• 化学式: C₁₄H₂₈O₅S
• 分子量: 308.439
• InChiKey: UJSHYEPHNYPBOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Methanesulfonyloxy-nonanoic acid tert-butyl ester 在 磺酰氯 、 乙酸酐 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 3-Chlorosulfinyl-nonanoic acid tert-butyl ester
  参考文献：
  名称：

  Amide surrogates of matrix metalloproteinase inhibitors: Urea and sulfonamide mimics

  摘要：

  A new method for the synthesis of succinyl sulfinyl chlorides was applied to the preparation of sulfonamide peptide mimics of MMP inhibitors. Sulfonamide mimics were determined to be active against MMPs and represent promising new leads for further optimization. Urea mimics were also prepared and found to be unstable and prone to hydantoin formation in protic media. (C) 1997 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00182-0
• 作为产物：
  描述：

  醋酸叔丁酯 在 N,N-二异丙基乙胺 、 lithium diisopropyl amide 作用下， 以 二氯甲烷 为溶剂， 生成 3-Methanesulfonyloxy-nonanoic acid tert-butyl ester
  参考文献：
  名称：

  Amide surrogates of matrix metalloproteinase inhibitors: Urea and sulfonamide mimics

  摘要：

  A new method for the synthesis of succinyl sulfinyl chlorides was applied to the preparation of sulfonamide peptide mimics of MMP inhibitors. Sulfonamide mimics were determined to be active against MMPs and represent promising new leads for further optimization. Urea mimics were also prepared and found to be unstable and prone to hydantoin formation in protic media. (C) 1997 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00182-0