3-Hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidin | 83501-82-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-Hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidin
• 英文别名: N-Oxy-2.2.5.5.-tetramethyloxazolidin；3-Oxyl-2,2,4,4-tetramethyloxazolidine；3-hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidine
• CAS: 83501-82-0
• 化学式: C₇H₁₅NO₂
• 分子量: 145.202
• InChiKey: RFSCUPHJKOYREF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-氯萘 、 3-Hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidin 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以74%的产率得到2,2,4,4-Tetramethyl-3-(1-naphthoyloxy)-1,3-oxazolidin
  参考文献：
  名称：

  Kliegel, Wolfgang; Enders, Bernhard; Becker, Harald, Liebigs Annalen der Chemie, 1982, # 9, p. 1712 - 1721

  摘要：

  DOI：
• 作为产物：
  描述：

  2-hydroxyamino-2-methylpropan-1-ol 、 2,2-二乙氧基丙烷 以41%的产率得到3-Hydroxy-2,2,4,4-tetramethyl-1,3-oxazolidin
  参考文献：
  名称：

  Kliegel, Wolfgang; Enders, Bernhard; Becker, Harald, Liebigs Annalen der Chemie, 1982, # 9, p. 1712 - 1721

  摘要：

  DOI：

文献信息

• DINITROXIDE-TYPE BIRADICAL COMPOUNDS OPTIMIZED FOR DYNAMIC NUCLEAR POLARIZATION (DNP)
  申请人：OUARI Olivier

  公开号：US20100249386A1

  公开（公告）日：2010-09-30

  The present invention relates to the field of organic chemistry and in particular to organic free radicals used as polarizing agents in the technique of Dynamic Nuclear Polarization (DNP), which involves transferring the polarization of electron spins to the nuclei of a compound whose Nuclear Magnetic Resonance (NMR) is being observed. It concerns dinitroxide-type biradical polarizing agents characterized by a rigid linkage between the nitroxide units that enables optimal orientation and distance to be maintained between the aminoxyl groups of said nitroxide units. This particular structure enables, at low temperatures and high fields, optimal transfer of polarization and optimal enhancement of NMR/MAS signals of the polarized nuclei of the compound studied.

  本发明涉及有机化学领域，特别是有机自由基作为极化剂在动态核极化（DNP）技术中的应用，该技术涉及将电子自旋的极化转移到正在观察的化合物的核磁共振（NMR）中。它涉及一种二硝基型双自由基极化剂，其特点是硝基单元之间具有刚性连接，使得硝基单元的氨氧基之间的最佳定向和距离得以保持。这种特殊结构在低温和高场下，使得被研究化合物的极化核的极化转移和NMR/MAS信号的最佳增强得以实现。
• SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS
  申请人：North Carolina State University

  公开号：US20170029377A1

  公开（公告）日：2017-02-02

  Dynamic nuclear polarization (DNP) agents are provided for DNP nuclear magnetic resonance of analytes. The DNP agents can have the structure A-X-L-R, where A is none or an amphiphilic group; X is a coupling group capable of site-specific binding with the analyte or, when A is an amphiphilic group, capable of site-specific binding with the amphiphilic group; L is a bond or a linker group; and R is a poly-radical group. The poly-radical can be a di-radical, a tri-radical, a tetra-radical, or a combination thereof. Methods of NMR measurement of an analyte comprising an NMR-detectable nucleus are provided. The methods can include the steps of providing a frozen sample containing the analyte and a DNP agent; applying radiation having a frequency that excites electron spin transitions in the DNP agent at an intensity to polarize the NMR-detectable nucleus; and detecting a signal from nuclear spin transitions in the NMR-detectable nucleus.

  动态核极化（DNP）试剂可用于分析物的DNP核磁共振。DNP试剂可以具有A-X-L-R结构，其中A为无或含有亲水/疏水性的基团；X为能够与分析物或（当A为亲水/疏水性基团时）能够与亲水/疏水性基团特异结合的耦合基团；L为键或连接基团；R为多自由基基团。多自由基可以是双自由基、三自由基、四自由基或其组合。本文提供了一种包含NMR可检测核的分析物的NMR测量方法。该方法可以包括以下步骤：提供包含分析物和DNP试剂的冰冻样品；施加具有激发DNP试剂中电子自旋跃迁频率的辐射，其强度足以极化NMR可检测核；检测NMR可检测核的核自旋跃迁信号。
• Site-specific dynamic nuclear polarization NMR agents
  申请人：North Carolina State University

  公开号：US10414729B2

  公开（公告）日：2019-09-17

  Dynamic nuclear polarization (DNP) agents are provided for DNP nuclear magnetic resonance of analytes. The DNP agents can have the structure A-X-L-R, where A is none or an amphiphilic group; X is a coupling group capable of site-specific binding with the analyte or, when A is an amphiphilic group, capable of site-specific binding with the amphiphilic group; L is a bond or a linker group; and R is a poly-radical group. The poly-radical can be a di-radical, a tri-radical, a tetra-radical, or a combination thereof. Methods of NMR measurement of an analyte comprising an NMR-detectable nucleus are provided. The methods can include the steps of providing a frozen sample containing the analyte and a DNP agent; applying radiation having a frequency that excites electron spin transitions in the DNP agent at an intensity to polarize the NMR-detectable nucleus; and detecting a signal from nuclear spin transitions in the NMR-detectable nucleus.

  为分析物的 DNP 核磁共振提供了动态核偏振（DNP）剂。DNP 药剂可以具有 A-X-L-R 结构，其中 A 是无或两性基团；X 是能够与分析物进行特定位点结合的偶联基团，或者当 A 是两性基团时，能够与两性基团进行特定位点结合；L 是键或连接基团；R 是多辐射基团。多自由基可以是二自由基、三自由基、四自由基或其组合。提供了对包含核磁共振可检测核的分析物进行核磁共振测量的方法。这些方法可包括以下步骤：提供含有被分析物和 DNP 剂的冷冻样品；施加频率可激发 DNP 剂中电子自旋跃迁的辐射，其强度可使 NMR 可检测核极化；以及检测 NMR 可检测核中的核自旋跃迁信号。
• KLIEGEL, W.;ENDERS, B.;BECKER, H., LIEBIGS ANN. CHEM., 1982, N 9, 1712-1721
  作者：KLIEGEL, W.、ENDERS, B.、BECKER, H.

  DOI：——

  日期：——
• HYBRID MAGNETIC RESONANCE CONTRAST AGENTS
  申请人：IMARX PHARMACEUTICAL CORP.

  公开号：EP0822835A1

  公开（公告）日：1998-02-11