[(3aS,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol | 177019-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: [(3aS,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
• CAS: 177019-95-3
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: JWPXWQQXJHQIEA-FSPLSTOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙醇 、 [(3aS,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol 在 Nickel-Raney 盐酸 、 sodium periodate 、 氢气 、 硼酸 作用下， 生成 ethyl cis-(±)-2-hydroxycyclopentane-1-carboxylate
  参考文献：
  名称：

  Nitrile oxides in medicinal chemistry. 6. Enzymatic resolution of a set of bicyclic Δ2-isoxazolines

  摘要：

  Chymotrypsin selectively catalyzed the hydrolysis of a series of 3-ethoxycarbonyl-Delta(2)-isoxazolines 1-4, whereas lipase from Pseudomonas cepacia (lipase PS) was remarkably selective in hydrolysing the corresponding 3-hydroxymethyl-Delta(2)-isoxazoline butyrates (5-8). The enantio-preference of chymotrypsin for the first set of compounds is the same as that observed for the lipase PS-cataiyzed hydrolysis of the other series of substrates. The hydrolytic activity of lipase PS for compounds 5-8 was considerably higher than that shown by chymotrypsin for substrates 1-4. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00075-4
• 作为产物：
  描述：

  cis-3a,5,6,6a-Tetrahydro-3-(hydroxymethyl)-4H-cyclopentisoxazole 在 吡啶 、 potassium phosphate buffer 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 4.5h， 生成 [(3aS,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]methanol
  参考文献：
  名称：

  Nitrile oxides in medicinal chemistry. 6. Enzymatic resolution of a set of bicyclic Δ2-isoxazolines

  摘要：

  Chymotrypsin selectively catalyzed the hydrolysis of a series of 3-ethoxycarbonyl-Delta(2)-isoxazolines 1-4, whereas lipase from Pseudomonas cepacia (lipase PS) was remarkably selective in hydrolysing the corresponding 3-hydroxymethyl-Delta(2)-isoxazoline butyrates (5-8). The enantio-preference of chymotrypsin for the first set of compounds is the same as that observed for the lipase PS-cataiyzed hydrolysis of the other series of substrates. The hydrolytic activity of lipase PS for compounds 5-8 was considerably higher than that shown by chymotrypsin for substrates 1-4. (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00075-4

文献信息

• C-7 Isoxazolinyl Quinolone / Naphthyridine Derivatives Useful as Antibacterial Agents
  申请人：Macielag Mark J.

  公开号：US20090029980A1

  公开（公告）日：2009-01-29

  The present invention relates to C-7 isoxazolyl quinoline/naphthyridine derivatives useful as antimicrobial compounds, pharmaceutical compositions comprising said derivatives and the use of said derivatives and pharmaceutical compositions as antimicrobial agents against pathogenic microorganisms, particularly against resistant microbes.

  本发明涉及C-7异噁唑基喹啉/萘啶衍生物，可用作抗微生物化合物，包括含有该衍生物的药物组合物以及将该衍生物和药物组合物用作抗病原微生物的抗微生物剂，特别是对抗耐药微生物。
• US7902227B2
  申请人：——

  公开号：US7902227B2

  公开（公告）日：2011-03-08