Benzyl 7-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate | 444588-25-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: Benzyl 7-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
• 英文别名: benzyl 7-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
• CAS: 444588-25-4
• 化学式: C₂₆H₂₆N₂O₄
• 分子量: 430.503
• InChiKey: ANNNSPAHRGJZFY-UHFFFAOYSA-N

物化性质

• 沸点：
  569.9±50.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Benzyl 7-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate 在 甲醇 、 lithium tert-amoxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[[(5S)-2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials

  摘要：

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.017
• 作为产物：
  描述：

  2,3,4,5-四氢-1H-3-苯并氮杂卓-7-胺 、 氯甲酸苄酯 在 碳酸氢钠 作用下， 生成 Benzyl 7-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials

  摘要：

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.017

文献信息

• Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials
  作者：Paul D. Johnson、Paul A. Aristoff、Gary E. Zurenko、Ronda D. Schaadt、Betty H. Yagi、Charles W. Ford、Judith C. Hamel、Douglas Stapert、Judy K. Moerman

  DOI：10.1016/j.bmcl.2003.07.017

  日期：2003.12

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.