tert-butyl (2S)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (2S)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
• 化学式: C₁₅H₂₆ClNO₅
• 分子量: 335.828
• InChiKey: YAVBUNUPPHQFPT-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (2S)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate 在 silver tetrafluoroborate 作用下， 以 硝基甲烷 为溶剂， 生成
  参考文献：
  名称：

  Inhibition of escherichia coli glucosamine synthetase by novel electrophilic analogues of glutamine—comparison with 6-diazo-5-oxo-norleucine

  摘要：

  A series of electrophilic glutamine analogues based on 6-diazo-5-oxo-norleucine has been prepared, using novel synthetic routes, and evaluated as inhibitors of Escherichia coli. glucosamine synthetase. The gamma -dimethylsulphonium salt analogue of glutamine was found to be one of the most potent inactivators of this enzyme yet reported, with an apparent second order rate constant (k(2)/K-i) of 3.5 x 10(5) M-1 min(-1). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00565-5
• 作为产物：
  描述：

  Boc-L-谷氨酸-1-叔丁酯 在 N-甲基吗啉 、 盐酸 作用下， 以 乙醚 为溶剂， 生成 tert-butyl (2S)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
  参考文献：
  名称：

  Inhibition of escherichia coli glucosamine synthetase by novel electrophilic analogues of glutamine—comparison with 6-diazo-5-oxo-norleucine

  摘要：

  A series of electrophilic glutamine analogues based on 6-diazo-5-oxo-norleucine has been prepared, using novel synthetic routes, and evaluated as inhibitors of Escherichia coli. glucosamine synthetase. The gamma -dimethylsulphonium salt analogue of glutamine was found to be one of the most potent inactivators of this enzyme yet reported, with an apparent second order rate constant (k(2)/K-i) of 3.5 x 10(5) M-1 min(-1). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00565-5