5-(ethylamino)-4-methyl-2-nitrosophenol | 63549-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-(ethylamino)-4-methyl-2-nitrosophenol
• CAS: 63549-31-5
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: BHPTXCMLYZQSBB-UHFFFAOYSA-N

物化性质

• 熔点：
  149-150 °C(Solv: ethanol (64-17-5))
• 沸点：
  366.1±42.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-羟基-1,2,3,4-四氢喹啉 、 5-(ethylamino)-4-methyl-2-nitrosophenol 在 高氯酸 作用下， 以 水 、 异丙醇 为溶剂， 以50%的产率得到(Z)-N-(8-methyl-1,2,3,4-tetrahydro-9H-pyrido[3,2-b]phenoxazin-9-ylidene)ethanaminium
  参考文献：
  名称：

  [EN] NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION
  [FR] FORMULATIONS DE FLUOROPHORE SPÉCIFIQUE AUX NERFS POUR ADMINISTRATION DIRECTE ET SYSTÉMIQUE

  摘要：

  描述了用于直接或全身给药的神经特异性荧光素配方。这些配方可用于荧光引导手术（FGS），帮助在外科手术干预期间保护神经。

  公开号：

  WO2020033435A1
• 作为产物：
  描述：

  3-(乙基氨基)-4-甲酚 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 3.0h， 以79%的产率得到5-(ethylamino)-4-methyl-2-nitrosophenol
  参考文献：
  名称：

  [EN] NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION
  [FR] FORMULATIONS DE FLUOROPHORE SPÉCIFIQUE AUX NERFS POUR ADMINISTRATION DIRECTE ET SYSTÉMIQUE

  摘要：

  描述了用于直接或全身给药的神经特异性荧光素配方。这些配方可用于荧光引导手术（FGS），帮助在外科手术干预期间保护神经。

  公开号：

  WO2020033435A1

文献信息

• Novel long alkyl side chain benzo[a]phenoxazinium chlorides: synthesis, photophysical behaviour and DNA interaction
  作者：Carla M.A. Alves、Sarala Naik、Paulo J.G. Coutinho、M. Sameiro T. Gonçalves

  DOI：10.1016/j.tet.2009.10.017

  日期：2009.12

  only that the acid form is observed as coexisting with H-aggregates. The solubility markedly decreased when the chain length increased. The residual ethanol (0.2% v/v) used to facilitate the solubilisation of the benzo[a]phenoxazinium dyes allow for the existence of the basic form in an aqueous solution, possibly through preferential solvation. Photophysical studies in the presence of DNA revealed that

  有效地合成了在杂环部分的5位具有丙基，辛基，癸基，十二烷基或十四烷基氨基的几种荧光苯并[ a ]苯恶嗪氯化物。所有化合物的吸收和发射最大值分别在627–638 nm和654–678 nm范围内，并具有良好的荧光量子产率。对它们在乙醇中的光物理性质的研究可以估算酸碱解离常数K a。揭示了随着烷基侧链长度的增加而增强。仅在水性介质中，观察到酸形式与H-聚集体共存。当链长增加时，溶解度显着降低。用于促进苯并[ a ]苯恶嗪鎓染料增溶的残余乙醇（0.2％v / v）可以通过优先溶剂化使碱性形式存在于水溶液中。在存在DNA的情况下进行的光物理研究表明，具有最多8个碳原子的烷基侧链的化合物可以插入DNA核苷酸之间。此外，发现其他形式的DNA结合也是有效的，其中还涉及苯并[ a ]苯恶嗪鎓染料的基本形式。
• [EN] NEAR-INFRARED NERVE-SPARING FLUOROPHORES<br/>[FR] FLUOROPHORES ÉPARGNANT LES NERFS EN PROCHE INFRAROUGE
  申请人：UNIV OREGON HEALTH & SCIENCE

  公开号：WO2020023911A3

  公开（公告）日：2020-03-26
• Nanomolar Hg(II) Detection Using Nile Blue Chemodosimeter in Biological Media
  作者：Min Hee Lee、Soon W. Lee、Sang Hoon Kim、Chulhun Kang、Jong Seung Kim

  DOI：10.1021/ol900542y

  日期：2009.5.21

  A Nile blue-based chemodosimeter (1) was newly synthesized, and its application for detection of the Hg2+ ion in 100% aqueous solution was demonstrated. Upon its addition into aqueous Hg2+ ion solution, it exhibited a considerable blue-shift in its absorption and emission spectra, driven by a desulfurization reaction. Detection at an emission of 652 nm was extremely sensitive (less than 1.0 ppb), even in biological media such as blood plasma and albumin.
• Synthesis of naphtho[2,3-a]phenoxazinium chlorides: Structure–activity relationships of these heterocycles and benzo[a]phenoxazinium chlorides as new antimicrobials
  作者：Vânia H.J. Frade、Maria J. Sousa、João C.V.P. Moura、M. Sameiro T. Gonçalves

  DOI：10.1016/j.bmc.2007.12.013

  日期：2008.3.15

  Synthesised functionalised naphtho[2,3-a]phenoxazinium chlorides revealed great fluorescence with maximum emission wavelengths between 630 and 676 nm, in ethanol and water at physiological pH. Naphtho[2,3-a]phenoxazines, as well as a series of benzo[a]phenoxazines, were evaluated against Saccharomyces cerevisiae, in a broth microdilution assay. This family of compounds exhibited antifungal activity depending both on the substituents of the heterocycle nucleus as well as on its size. The best activities were obtained for four-ring systems, and particularly for 5,9-diaminobenzo[a]phenoxazines with R = Me, R, = H and R-2 = Et. As for R-3 substitution, the greatest efficiency was obtained for R-3 = (CH2)Cl, with a MIC of 3.75 mu M. The linkage of different amino acids to the functional group of the 5-amino position of diaminobenzo[a]phenoxazinium moiety resulted in compounds with diverse antimicrobial efficiencies, depending on the polar character of the amino acid, on its linkage position and on the size of the alkyl chain linker. (C) 2007 Elsevier Ltd. All rights reserved.
• DE82627
  申请人：——

  公开号：——

  公开（公告）日：——