[(3R,4R)-4-(tert-Butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester | 205251-37-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: [(3R,4R)-4-(tert-Butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester
• CAS: 205251-37-2
• 化学式: C₁₆H₃₁N₃O₄
• 分子量: 329.44
• InChiKey: SLXNCCOJZAFGLB-VXGBXAGGSA-N

物化性质

• 沸点：
  404.332±45.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.090±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  71.11
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [(3R,4R)-4-(tert-Butoxycarbonyl-methyl-amino)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester 在 盐酸 作用下， 生成 7-((3R,4R)-3,4-Bis-methylamino-pyrrolidin-1-yl)-1-cyclopropyl-5,6,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride
  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：

  (3R,4R)-1-Benzyl-N,N'-dimethyl-pyrrolidine-3,4-diamine 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 [(3R,4R)-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