(E)-(S)-5-Benzyloxycarbonylamino-hex-2-enoic acid tert-butyl ester | 188689-85-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-(S)-5-Benzyloxycarbonylamino-hex-2-enoic acid tert-butyl ester
• CAS: 188689-85-2
• 化学式: C₁₈H₂₅NO₄
• 分子量: 319.401
• InChiKey: CTPGAGWMXXJVBW-BCNIOPEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-(S)-5-Benzyloxycarbonylamino-hex-2-enoic acid tert-butyl ester 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 (E)-(S)-5-Amino-hex-2-enoic acid
  参考文献：
  名称：

  Peptide based inhibitors of interleukin-8: structural simplification and enhanced potency

  摘要：

  Important areas of a lead peptide inhibitor of IL-I had been previously identified. Chemical modification led to the identification of key amide bonds which allowed the replacement of the central section of the peptide with modified amino acids and spacers. This approach led to inhibitors of lower molecular weight and of increased potency. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00036-x
• 作为产物：
  描述：

  [(S)-2-(Methoxy-methyl-carbamoyl)-1-methyl-ethyl]-carbamic acid benzyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 (E)-(S)-5-Benzyloxycarbonylamino-hex-2-enoic acid tert-butyl ester
  参考文献：
  名称：

  Peptide based inhibitors of interleukin-8: structural simplification and enhanced potency

  摘要：

  Important areas of a lead peptide inhibitor of IL-I had been previously identified. Chemical modification led to the identification of key amide bonds which allowed the replacement of the central section of the peptide with modified amino acids and spacers. This approach led to inhibitors of lower molecular weight and of increased potency. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00036-x