Dimethyl 2,5-ditert-butyl-1-hydroxypyrrole-3,4-dicarboxylate | 175913-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Dimethyl 2,5-ditert-butyl-1-hydroxypyrrole-3,4-dicarboxylate
• CAS: 175913-05-0
• 化学式: C₁₆H₂₅NO₅
• 分子量: 311.378
• InChiKey: QPVAEJJJOHCOQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Dimethyl 2,5-ditert-butyl-1-hydroxypyrrole-3,4-dicarboxylate 在 碘代三甲硅烷 作用下， 以 氘代氯仿 为溶剂， 以49%的产率得到2,5-di-ter-butyl-N-hydroxypyrrole-3,4-dicarboxylic acid
  参考文献：
  名称：

  Preparation of Perdeuteriated 2,5-Di-tert-butyl-3,4-di(methoxycarbonyl)pyrroloxyl: a Stable Nitroxide Free Radical with Remarkably Narrow Intrinsic EPR Linewidth.

  摘要：

  The preparation and EPR spectral properties of a series of deuteriated nitroxides derived from 2,5-di-tert-butyl-3,4-dimethoxycarbonylpyrroloxyl is presented The nitroxides were deuteriated in the methyl ester moiety by means of transesterification with methanol-d(4) and in the tert-butyl groups via a multistep sequence starting from acetone-d(6). The EPR spectra were recorded after treatment of the corresponding hydroxylamines with NiOOH in benzene, and the linewidths compared with those of non-deuteriated and perdeuteriated commercial nitroxides. The fully deuteriated nitroxide 3d was found to have the narrowest linewidth so far recorded for a nitroxide, 11.3 mu T, and a nitrogen coupling constant of 0.44 mT (in benzene).

  DOI：

  10.3891/acta.chem.scand.50-0146
• 作为产物：
  描述：

  新戊酰基乙酸甲酯 在 盐酸羟胺 、 碘 、 sodium acetate 、 sodium 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 74.0h， 生成 Dimethyl 2,5-ditert-butyl-1-hydroxypyrrole-3,4-dicarboxylate
  参考文献：
  名称：

  Preparation of Perdeuteriated 2,5-Di-tert-butyl-3,4-di(methoxycarbonyl)pyrroloxyl: a Stable Nitroxide Free Radical with Remarkably Narrow Intrinsic EPR Linewidth.

  摘要：

  The preparation and EPR spectral properties of a series of deuteriated nitroxides derived from 2,5-di-tert-butyl-3,4-dimethoxycarbonylpyrroloxyl is presented The nitroxides were deuteriated in the methyl ester moiety by means of transesterification with methanol-d(4) and in the tert-butyl groups via a multistep sequence starting from acetone-d(6). The EPR spectra were recorded after treatment of the corresponding hydroxylamines with NiOOH in benzene, and the linewidths compared with those of non-deuteriated and perdeuteriated commercial nitroxides. The fully deuteriated nitroxide 3d was found to have the narrowest linewidth so far recorded for a nitroxide, 11.3 mu T, and a nitrogen coupling constant of 0.44 mT (in benzene).

  DOI：

  10.3891/acta.chem.scand.50-0146

文献信息

• A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE
  申请人：Nycomed Imaging AS

  公开号：EP0871896B1

  公开（公告）日：2002-01-30
• US5765562A
  申请人：——

  公开号：US5765562A

  公开（公告）日：1998-06-16
• US6256527B1
  申请人：——

  公开号：US6256527B1

  公开（公告）日：2001-07-03
• [EN] A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE<br/>[FR] PROCEDE SERVANT A DETERMINER LA CONCENTRATION D'OXYGENE DANS UN ECHANTILLON
  申请人：NYCOMED IMAGING A/S

  公开号：WO1997009633A1

  公开（公告）日：1997-03-13

  (EN) A method for determining the oxygen concentration of a sample using electron spin resonance enhanced magnetic resonance imaging.(FR) Le procédé faisant l'objet de cette invention sert à déterminer la concentration d'oxygène dans un échantillon en utilisant l'imagerie par résonance magnétique améliorée par résonance du spin électronique.
• Preparation of Perdeuteriated 2,5-Di-tert-butyl-3,4-di(methoxycarbonyl)pyrroloxyl: a Stable Nitroxide Free Radical with Remarkably Narrow Intrinsic EPR Linewidth.
  作者：Finn Radner、André Rassat、Carl-Johan Hersvall

  DOI：10.3891/acta.chem.scand.50-0146

  日期：——

  The preparation and EPR spectral properties of a series of deuteriated nitroxides derived from 2,5-di-tert-butyl-3,4-dimethoxycarbonylpyrroloxyl is presented The nitroxides were deuteriated in the methyl ester moiety by means of transesterification with methanol-d(4) and in the tert-butyl groups via a multistep sequence starting from acetone-d(6). The EPR spectra were recorded after treatment of the corresponding hydroxylamines with NiOOH in benzene, and the linewidths compared with those of non-deuteriated and perdeuteriated commercial nitroxides. The fully deuteriated nitroxide 3d was found to have the narrowest linewidth so far recorded for a nitroxide, 11.3 mu T, and a nitrogen coupling constant of 0.44 mT (in benzene).