N-t-butyl-N-nitrosohydroxylamine | 75005-93-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-t-butyl-N-nitrosohydroxylamine
• 英文别名: N-tert-butyl-N-hydroxynitrous amide
• CAS: 75005-93-5
• 化学式: C₄H₁₀N₂O₂
• 分子量: 118.136
• InChiKey: XXAQNLWGGDLUCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  8.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.9
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-t-butyl-N-nitrosohydroxylamine 、 (octaethylporphyrinato dianion)Ru(NO)(O-i-C5H11) 以 二氯甲烷 为溶剂， 反应 12.0h， 以61%的产率得到
  参考文献：
  名称：

  Unusual monodentate binding of a C-NONOate ligand in the nitrosyl complex (OEP)Ru(NO)(η1-ONN(t-Bu)O)

  摘要：

  The recent discovery of the C-NONOate moiety ([X{N2O2}](-); diazeniumdiolate) as a new class of siderophore functional group necessitates further examination of its coordination chemistry. The bidentate eta(2)-O,O binding mode of the C-NONOate moiety is well-established. We have synthesized and characterized, by X-ray crystallography, the first monodentate eta(1)-O binding mode of a C-NONOate group to any metal, namely that of (OEP)Ru(NO)(eta(1)-ONN(t-Bu)O). The compound exhibits an irreversible first oxidation in CH2Cl2 at a Pt electrode. Protonation with triflic acid results in the formation of N2O, presumably from the direct protonation of the C-NONOate ligand.

  DOI：

  10.1016/j.ica.2020.119567
• 作为产物：
  描述：

  叔丁基氯化镁 在 亚硝酰氯 作用下， 生成 N-t-butyl-N-nitrosohydroxylamine
  参考文献：
  名称：

  Klages; Sitz, Chemische Berichte, 1959, vol. 92, p. 2606,2608

  摘要：

  DOI：

文献信息

• Six-coordinate ferric porphyrins containing bidentate N-t-butyl-N-nitrosohydroxylaminato ligands: structure, magnetism, IR spectroelectrochemisty, and reactivity
  作者：Nan Xu、Jonathan H. Christian、Naresh S. Dalal、Erwin G. Abucayon、Colin Lingafelt、Douglas R. Powell、George B. Richter-Addo

  DOI：10.1039/c5dt03074a

  日期：——

  complexes of heme models, namely (OEP)Fe(η2-ON(t-Bu)NO) (1) and (TPP)Fe(η2-ON(t-Bu)NO) (2) (OEP = octaethylporphyrinato dianion, TPP = tetraphenylporphyrinato dianion). The compounds display the unusual NONOate O,O-bidentate binding mode for porphyrins, resulting in significant apical Fe displacements (+0.60 Å for 1, and +0.69 Å for 2) towards the axial ligands. Magnetic susceptibility and magnetization

  含有[X N 2 O 2 }] -官能团的NONOates（二氮烯二醇盐）在生物学中经常被用作一氧化氮（NO）供体，并且一些NONOates已显示与金属酶结合。我们报告的准备，晶体结构，详述磁性行为，氧化还原性质和反应性血红素模型，即（OEP）的Fe（η的第一可分离烷基C-NONO酯复合物的2 -ON（吨-Bu）NO）（1）和（TPP）的Fe（η 2 -ON（吨-Bu）NO）（2）（OEP = octaethylporphyrinato二价阴离子，TPP = tetraphenylporphyrinato二价阴离子）。这些化合物显示出异常的NONOate O，O-bidentate为卟啉结合模式，导致显著心尖的Fe位移（0.60埃为1，和0.69埃为2朝轴向配体）。在0.02至5 T的磁场下，从1.8–300 K进行磁化率和磁化强度测量，分别得出1和2的磁矩分别为5.976和5.974
• Klages; Sitz, Chemische Berichte, 1959, vol. 92, p. 2606,2608
  作者：Klages、Sitz

  DOI：——

  日期：——
• Unusual monodentate binding of a C-NONOate ligand in the nitrosyl complex (OEP)Ru(NO)(η1-ONN(t-Bu)O)
  作者：Nan Xu、Alexander Bevak、Joseph Roesch、Bernadette Armstrong、Erwin Abucayon、Zachary Bell、Douglas R. Powell、George B. Richter-Addo

  DOI：10.1016/j.ica.2020.119567

  日期：2020.7

  The recent discovery of the C-NONOate moiety ([XN2O2}](-); diazeniumdiolate) as a new class of siderophore functional group necessitates further examination of its coordination chemistry. The bidentate eta(2)-O,O binding mode of the C-NONOate moiety is well-established. We have synthesized and characterized, by X-ray crystallography, the first monodentate eta(1)-O binding mode of a C-NONOate group to any metal, namely that of (OEP)Ru(NO)(eta(1)-ONN(t-Bu)O). The compound exhibits an irreversible first oxidation in CH2Cl2 at a Pt electrode. Protonation with triflic acid results in the formation of N2O, presumably from the direct protonation of the C-NONOate ligand.