2,4,5,7-tetranitro-9-fluorenone oxime | 74339-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,4,5,7-tetranitro-9-fluorenone oxime
• 英文别名: 2,4,5,7-tetranitro-fluoren-9-one oxime；2,4,5,7-Tetranitro-fluoren-9-on-oxim；N-(2,4,5,7-tetranitrofluoren-9-ylidene)hydroxylamine
• CAS: 74339-82-5
• 化学式: C₁₃H₅N₅O₉
• 分子量: 375.211
• InChiKey: YTLLBOORAOBVSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  216
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,4,5,7-tetranitro-9-fluorenone oxime 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以100 %的产率得到sodium 2,4,5,7-tetranitro-9H-fluoren-9-one oximate
  参考文献：
  名称：

  2,4,5,7-四硝基芴酮肟酯用于肉眼检测氢键供体和对映体纯试剂的手性光学传感

  摘要：

  2,4,5,7-四硝基芴酮肟酸酯( 1 )的溶液在非质子溶剂中呈蓝色( λ max ≈600 nm)，与极性无关，而在质子溶剂中获得红色( λ max <560 nm)。吸收的低色位移与氢键供体 (HBD) 的氢键供体能力 ( α )具有良好的相关性。[3]螺旋，构型不稳定，1进一步应用于识别在络合时诱导电子圆二色性 (ECD) 的对映体纯 HBD。

  DOI：

  10.1002/chem.202302169
• 作为产物：
  描述：

  2,4,5,7-四硝基-9-芴酮 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 以94 %的产率得到2,4,5,7-tetranitro-9-fluorenone oxime
  参考文献：
  名称：

  2,4,5,7-四硝基芴酮肟酯用于肉眼检测氢键供体和对映体纯试剂的手性光学传感

  摘要：

  2,4,5,7-四硝基芴酮肟酸酯( 1 )的溶液在非质子溶剂中呈蓝色( λ max ≈600 nm)，与极性无关，而在质子溶剂中获得红色( λ max <560 nm)。吸收的低色位移与氢键供体 (HBD) 的氢键供体能力 ( α )具有良好的相关性。[3]螺旋，构型不稳定，1进一步应用于识别在络合时诱导电子圆二色性 (ECD) 的对映体纯 HBD。

  DOI：

  10.1002/chem.202302169

文献信息

• Protein Kinase Inhibitors and Methods for Identiying Same
  申请人：Lawrence S. David

  公开号：US20070254312A1

  公开（公告）日：2007-11-01

  Inhibitors of protein kinase C (PKC)α, PKCδ and PKCζ are provided which are selective for those PKC isotypes. Combinatorial libraries for identifying protein kinases are also provided, as are methods of identifying protein kinases using those libraries. Additionally, methods of treating a mammal having a deleterious condition, where the condition is dependent on a protein kinase for induction or severity, are provided. Methods of inhibiting protein kinases are also provided.

  提供了特异性作用于蛋白激酶C（PKC）α、PKCδ和PKCζ的抑制剂，以及用于识别蛋白激酶的组合化学文库，以及利用这些文库识别蛋白激酶的方法。此外，还提供了用于治疗患有依赖蛋白激酶诱导或严重性的有害状况的哺乳动物的方法。同时还提供了抑制蛋白激酶的方法。
• Synthesis and study of complex formation of tri-and tetranitro-9-fluorenone oximes with 3d metals: Crystal and molecular structure of the 1: 1 solvate of 2,4,5,7-tetranitro-9-fluorenone oxime with acetonitrile
  作者：S. B. Strashnova、O. V. Avramenko、A. V. Churakov、V. S. Sergienko、O. V. Koval’chukova、B. E. Zaitsev

  DOI：10.1134/s0036023608100112

  日期：2008.10

  The complexes M(L-1,L- 2)(2) center dot nH(2)O, where M = Co(II), Ni(II), Cu(II), and Zn; n = 2 and 3, were synthesized by the reaction of Co(II), Ni(II), Cu(II), and Zn(II) chlorides with 2,4,7-trinitro-9-fluorenone oxime (HL1) and 2,4,5,7-tetranitro-9-fluorenone oxime (HL2) and identified. It was shown that HL1, 2 were coordinated by metal cations in the anionic form in a 2:1 ratio. A single crystal of the solvate of HL2 with acetonitrile (1:1) HL2 center dot NCCH3 was isolated, and its crystal structure was determined. The spectral characteristics were determined, and the acidity constant of HL1 was calculated. The structures for the synthesized complexes were proposed.
• MYSYK, D. D.;SIVCHENKOVA, N. M.;KAMPAR, V. EH.;NEJLAND, O. YA.;KAMPARE, R+, IZV. AN LATVSSR. CEP. XIM., 1984, N 3, 332-335
  作者：MYSYK, D. D.、SIVCHENKOVA, N. M.、KAMPAR, V. EH.、NEJLAND, O. YA.、KAMPARE, R+

  DOI：——

  日期：——
• 2,4,5,7‐Tetranitrofluorenone Oximate for the Naked‐Eye Detection of H‐Bond Donors and the Chiroptical Sensing of Enantiopure Reagents
  作者：Dávid Pál、Céline Besnard、Adiran de Aguirre、Amalia I. Poblador‐Bahamonde、Gennaro Pescitelli、Jérôme Lacour

  DOI：10.1002/chem.202302169

  日期：2023.10.26

  Solutions of 2,4,5,7-tetranitrofluorenone oximate (1) are blue (λmax≈600 nm) in aprotic solvents, independently of polarity, while a red color (λmax<560 nm) is obtained in protic solvents. The hypsochromic shift in absorption is in excellent correlation with the H-bond donating ability (α) of hydrogen bond donors (HBDs). [3]Helical, configurationally labile, 1 is further applied in recognition of enantiopure

  2,4,5,7-四硝基芴酮肟酸酯( 1 )的溶液在非质子溶剂中呈蓝色( λ max ≈600 nm)，与极性无关，而在质子溶剂中获得红色( λ max <560 nm)。吸收的低色位移与氢键供体 (HBD) 的氢键供体能力 ( α )具有良好的相关性。[3]螺旋，构型不稳定，1进一步应用于识别在络合时诱导电子圆二色性 (ECD) 的对映体纯 HBD。
• <i>Pfeiffer</i> effect on configurationally labile dyes within ternary complexes with metal ions and enantiopure macrocycles
  作者：Dávid Pál、Jérôme Lacour

  DOI：10.1039/d3dt04098d

  日期：——

  ne oximate, is used to probe complexes made of enantiopure macrocycles and mono/divalent metal ions. Induced electronic circular dichroism (ECD) and 1H NMR responses are amplified at room temperature only in the presence of K+ and Na+ ions despite larger binding efficiency with alkaline earth metal ions.

  使用构型不稳定的螺旋染料 2,4,5,7-四硝基芴酮肟酸盐来探测由对映纯大环化合物和单/二价金属离子组成的复合物。尽管与碱土金属离子的结合效率较高，但仅在存在 K +和 Na +离子的情况下，诱导电子圆二色性 (ECD) 和1 H NMR 响应在室温下才会被放大。