1-tert-Butoxycarbonylmethyl-cyclohexanecarboxylic acid benzyl ester | 181235-21-2

• 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: 1-tert-Butoxycarbonylmethyl-cyclohexanecarboxylic acid benzyl ester
• 英文别名: Benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
• CAS: 181235-21-2
• 化学式: C₂₀H₂₈O₄
• 分子量: 332.44
• InChiKey: IPZDMIPUFULRLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-tert-Butoxycarbonylmethyl-cyclohexanecarboxylic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 1-tert-Butoxycarbonylmethyl-cyclohexanecarboxylic acid
  参考文献：
  名称：

  Inhibitors of MMP-1: an examination of P1′ Cα gem-disubstitution in the succinamide hydroxamate series

  摘要：

  The effect of P-1' C-alpha gem-disubstitution in a series of succinamide hydroxamate inhibitors of MMP-1 has been investigated. While in all cases P-1' gem-disubstitution led to loss of potency relative to the corresponding P-1' isobutyl and phenyl compounds 1 and 3, respectively, the loss of activity was less pronounced in certain instances, e.g., the P-1' gem-cyclohexyl analogue 12 (IC50 = 0.15 mu M). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00303-4
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 环己甲酸苄酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以28%的产率得到1-tert-Butoxycarbonylmethyl-cyclohexanecarboxylic acid benzyl ester
  参考文献：
  名称：

  Inhibitors of MMP-1: an examination of P1′ Cα gem-disubstitution in the succinamide hydroxamate series

  摘要：

  The effect of P-1' C-alpha gem-disubstitution in a series of succinamide hydroxamate inhibitors of MMP-1 has been investigated. While in all cases P-1' gem-disubstitution led to loss of potency relative to the corresponding P-1' isobutyl and phenyl compounds 1 and 3, respectively, the loss of activity was less pronounced in certain instances, e.g., the P-1' gem-cyclohexyl analogue 12 (IC50 = 0.15 mu M). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00303-4