(1S,5R,1'S)-6,8-bis-[N-(1'-phenethyl)]-6,8-diaza-7,9-dioxo-1-methoxymethyl-bicyclo[3.2.2]nonane | 455281-75-1

• 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: (1S,5R,1'S)-6,8-bis-[N-(1'-phenethyl)]-6,8-diaza-7,9-dioxo-1-methoxymethyl-bicyclo[3.2.2]nonane
• 英文别名: (1S,5R)-1-(methoxymethyl)-6,8-bis[(1S)-1-phenylethyl]-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
• CAS: 455281-75-1
• 化学式: C₂₅H₃₀N₂O₃
• 分子量: 406.525
• InChiKey: IDRDPJNNXFUSPP-IQQIVJJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,5R,1'S)-6,8-bis-[N-(1'-phenethyl)]-6,8-diaza-7,9-dioxo-1-methoxymethyl-bicyclo[3.2.2]nonane 在 乙醇 、 氨 、 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 生成 (1S,5R)-6,8-diaza-7,9-dioxo-1-methoxymethyl-bicyclo[3.2.2]nonane
  参考文献：
  名称：

  Enantioselective synthesis of 2,6-diaminopimelic acid derivatives. Part 3

  摘要：

  Enantiomerically pure 2,6-diaminopimelic acid derivatives 9a c and 10a c have been synthesized starting from the glycine-derived chiral synthon (1'S,1"S)-1. The absolute configuration of stereocenters introduced on 2 and 3 were assigned on the basis of H-1 NMR data and conformational analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00126-x
• 作为产物：
  描述：

  溴甲基甲基醚 、 (1'S,1"S,1R,4R)-2,5-bis-[2,5-N,N-(1'-phenethyl)]-3,6-dioxo-2,5-diazabicyclo[3,2,2]nonane 在 甲基锂 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到(1S,5R,1'S)-6,8-bis-[N-(1'-phenethyl)]-6,8-diaza-7,9-dioxo-1-methoxymethyl-bicyclo[3.2.2]nonane
  参考文献：
  名称：

  Enantioselective synthesis of 2,6-diaminopimelic acid derivatives. Part 3

  摘要：

  Enantiomerically pure 2,6-diaminopimelic acid derivatives 9a c and 10a c have been synthesized starting from the glycine-derived chiral synthon (1'S,1"S)-1. The absolute configuration of stereocenters introduced on 2 and 3 were assigned on the basis of H-1 NMR data and conformational analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00126-x

文献信息

• Enantioselective synthesis of 2,6-diaminopimelic acid derivatives. Part 3
  作者：Francesca Paradisi、Fabio Piccinelli、Gianni Porzi、Sergio Sandri

  DOI：10.1016/s0957-4166(02)00126-x

  日期：2002.4

  Enantiomerically pure 2,6-diaminopimelic acid derivatives 9a c and 10a c have been synthesized starting from the glycine-derived chiral synthon (1'S,1"S)-1. The absolute configuration of stereocenters introduced on 2 and 3 were assigned on the basis of H-1 NMR data and conformational analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.