| 1339961-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1339961-23-7
• 化学式: C₁₉H₂₂IN₅O₄
• 分子量: 511.319
• InChiKey: KOLPXDXPOBHFAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  123.04
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 potassium carbonate 、 溶剂黄146 作用下， 以 乙腈 、 水 为溶剂， 反应 5.0h， 以10.6%的产率得到1-cyclopropyl-7-[8-(methoxyimino)-1,6-diazaspiro[3.4]oct-6-yl]-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of naphthyridone derivatives containing 8-alkoxyimino-1,6-dizaspiro[3.4]octane scaffolds

  摘要：

  The synthesis of naphthyridone derivatives containing 8-alkoxyimino-1.6-dizaspiro[3.4]octane scaffolds, the position isomers of the side chain at the C-7 position of Zabofloxacin, has been achieved in eight steps from tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate. The possible reaction mechanisms were also proposed. The key spirocyclic carbamate esters, which could be prepared using a modified Hofmann rearrangement strategy, were condensed with naphthyridone nuclei, and the resulting condensates were easily cleaved by TMSI and subsequently cyclized in the presence of K(2)CO(3). Moreover, additional N-methylation derivatives were also obtained using the synthetic sequence. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.089
• 作为产物：
  描述：

  N-tert-butoxycarbonyl-3-(2-acetoxyethyl)-3-carbamoyl-4-(methoxymino)pyrrolidine 在 sodium hypobromide 、 碘代三甲硅烷 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 1.17h， 生成
  参考文献：
  名称：

  Synthesis of naphthyridone derivatives containing 8-alkoxyimino-1,6-dizaspiro[3.4]octane scaffolds

  摘要：

  The synthesis of naphthyridone derivatives containing 8-alkoxyimino-1.6-dizaspiro[3.4]octane scaffolds, the position isomers of the side chain at the C-7 position of Zabofloxacin, has been achieved in eight steps from tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate. The possible reaction mechanisms were also proposed. The key spirocyclic carbamate esters, which could be prepared using a modified Hofmann rearrangement strategy, were condensed with naphthyridone nuclei, and the resulting condensates were easily cleaved by TMSI and subsequently cyclized in the presence of K(2)CO(3). Moreover, additional N-methylation derivatives were also obtained using the synthetic sequence. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.089