[(3R,4R)-1-Benzyl-4-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester | 205251-36-1

• 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: [(3R,4R)-1-Benzyl-4-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester
• CAS: 205251-36-1
• 化学式: C₂₃H₃₇N₃O₄
• 分子量: 419.564
• InChiKey: PYOKUNNENVLNBT-RTBURBONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  62.32
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [(3R,4R)-1-Benzyl-4-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 为溶剂， 生成 7-[(3R,4R)-3,4-Bis-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  参考文献：
  名称：

  Novel quinolone derivatives as potent antibacterials

  摘要：

  Several 7-(3R,4R-N,N'-dialkyl diaminopyrrolidinyl)-substituted quinolones were synthesized and evaluated for antibacterial activities. 5-Amino-7-(3R,4R-N,N'-dimethyldiamino-6,8-difluoro-1,4-dihydro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid was found to have potent antibacterial activity against gram + ve organisms. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00063-8
• 作为产物：
  描述：

  (R,R)-N-苄基-3,4-反式二氨基吡咯烷 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 [(3R,4R)-1-Benzyl-4-(tert-butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Novel quinolone derivatives as potent antibacterials

  摘要：

  Several 7-(3R,4R-N,N'-dialkyl diaminopyrrolidinyl)-substituted quinolones were synthesized and evaluated for antibacterial activities. 5-Amino-7-(3R,4R-N,N'-dimethyldiamino-6,8-difluoro-1,4-dihydro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid was found to have potent antibacterial activity against gram + ve organisms. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00063-8