(3S)-3-(3-nitrophenoxy)pyrrolidine | 741290-79-9

• 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: (3S)-3-(3-nitrophenoxy)pyrrolidine
• CAS: 741290-79-9
• 化学式: C₁₀H₁₂N₂O₃
• 分子量: 208.217
• InChiKey: SRLOKZSYXKQYDZ-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S)-3-(3-nitrophenoxy)pyrrolidine 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 (3S)-1-(methylsulfonyl)-3-(3-aminophenoxy)pyrrolidine
  参考文献：
  名称：

  New orally active PDE4 inhibitors with therapeutic potential

  摘要：

  The design synthesis, and biological evaluation of a series of pyrazolopyridines was carried out. Structural optimization of the aniline moiety of 4-anilinopyrazolopyridinc derivative 3a, which is one of the newly discovered chemical leads for PDE4 inhibitors from our in-house library, was performed successfully. The details of the discovery of new orally active PDE4 inhibitors, which are expected to show therapeutic potential, are presented and their structure-activity relationships are discussed. Pharmacological evaluation and pharmacokinetic data for representative compounds are also presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.032
• 作为产物：
  描述：

  tert-butyl (3S)-3-(3-nitrophenoxy)pyrrolidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以99%的产率得到(3S)-3-(3-nitrophenoxy)pyrrolidine
  参考文献：
  名称：

  New orally active PDE4 inhibitors with therapeutic potential

  摘要：

  The design synthesis, and biological evaluation of a series of pyrazolopyridines was carried out. Structural optimization of the aniline moiety of 4-anilinopyrazolopyridinc derivative 3a, which is one of the newly discovered chemical leads for PDE4 inhibitors from our in-house library, was performed successfully. The details of the discovery of new orally active PDE4 inhibitors, which are expected to show therapeutic potential, are presented and their structure-activity relationships are discussed. Pharmacological evaluation and pharmacokinetic data for representative compounds are also presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.032

文献信息

• New orally active PDE4 inhibitors with therapeutic potential
  作者：Hiroshi Ochiai、Akiharu Ishida、Tazumi Ohtani、Kensuke Kusumi、Katuya Kishikawa、Susumu Yamamoto、Hiroshi Takeda、Takaaki Obata、Hisao Nakai、Masaaki Toda

  DOI：10.1016/j.bmc.2004.05.032

  日期：2004.8.1

  The design synthesis, and biological evaluation of a series of pyrazolopyridines was carried out. Structural optimization of the aniline moiety of 4-anilinopyrazolopyridinc derivative 3a, which is one of the newly discovered chemical leads for PDE4 inhibitors from our in-house library, was performed successfully. The details of the discovery of new orally active PDE4 inhibitors, which are expected to show therapeutic potential, are presented and their structure-activity relationships are discussed. Pharmacological evaluation and pharmacokinetic data for representative compounds are also presented. (C) 2004 Elsevier Ltd. All rights reserved.