methyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetate | 89316-64-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: methyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetate
• 英文别名: methyl 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate；methyl 2-(4-methyl-2-oxo-2H-chromene-7-yloxy)acetate；ethyl 2-((4-methyl-2-oxo-2Hchromen-7-yl)oxy)acetate；Acetic acid, [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, methyl ester；methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
• CAS: 89316-64-3
• 化学式: C₁₃H₁₂O₅
• mdl: MFCD00589634
• 分子量: 248.235
• InChiKey: YTGRPSJZLPPIGC-UHFFFAOYSA-N

物化性质

• 沸点：
  403.1±45.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetate 在 hydrazine hydrate 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.06h， 生成 2-<((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)methyl>-1,3,4-oxadiazole-5-thiol
  参考文献：
  名称：

  Hydrogen Peroxide Scavenging Activity of Novel Coumarins Synthesized Using Different Approaches

  摘要：

  利用化学方法和微波辅助方法合成了7-羟基-4-甲基香豆素的新衍生物，并对两种方法的可行性、反应时间和产率进行了比较。通过不同的光谱技术（FT-IR和NMR）和微元素分析（CHNS）对新合成的香豆素进行了表征。体外抗氧化活性评估了这些化合物对抗过氧化氢的能力，并与标准天然抗氧化剂维生素C进行了比较。研究结果表明，这些化合物具有优异的自由基清除活性。

  DOI：

  10.1371/journal.pone.0132175
• 作为产物：
  描述：

  4-methyl-7-(carbamoylmethyloxy)benzopyran-2-one 在 sodium hydroxide 、 硫酸 作用下， 以 苯 为溶剂， 反应 16.0h， 生成 methyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetate
  参考文献：
  名称：

  Eltamany; El-Deen; El-Fattah, M. F. Abd, Journal of the Indian Chemical Society, 1996, vol. 73, # 7, p. 367 - 369

  摘要：

  DOI：

文献信息

• Antioxidant Activities of 4-Methylumbelliferone Derivatives
  作者：Yasameen K. Al-Majedy、Ahmed A. Al-Amiery、Abdul Amir H. Kadhum、Abu Bakar Mohamad

  DOI：10.1371/journal.pone.0156625

  日期：——

  micro-elemental analysis (CHNS). The in vitro antioxidant activity of the 4-MUs was evaluated in terms of their free radical scavenging activities against 2,2-diphenyl-1-picrylhydrazyl (DPPH), Nitric oxide radical scavenging activity assay, chelating activity and their (FRAP) ferric-reducing antioxidant power, which were compared with a standard antioxidant. Our results reveal that the 4-MUs exhibit excellent

  在这项研究中进行了4-甲基伞形酮（4-MUs）的衍生物的合成，这是结构上令人感兴趣的抗氧化剂。通过不同的反应步骤对4-甲基伞形酮（4-MU）进行了修饰，以生成目标化合物4-MU。通过不同的光谱技术（傅立叶变换红外光谱；傅立叶变换红外光谱和核磁共振；核磁共振）和微量元素分析（CHNS）对4-MUs进行表征。评估了4-MUs的体外抗氧化活性，包括其对2,2-二苯基-1-吡啶并肼基（DPPH）的自由基清除活性，一氧化氮自由基清除活性测定，螯合活性及其（FRAP）铁-降低抗氧化能力，与标准抗氧化剂相比。我们的结果表明4-MUs具有优异的自由基清除活性。还研究了4-MUs的抗氧化机理。基于密度函数理论（DFT）的量子化学研究在3-21G的基础上进行。研究了合成化合物的分子模型以了解其抗氧化活性。还研究了这些合成抗氧化剂的电子能级，即HOMO（最高占据分子轨道）和LUMO（最低未占据分子轨道）。
• ORGANIC COMPOSITIONS FOR REPEATEDLY ADJUSTABLE OPTICAL ELEMENTS AND SUCH ELEMENTS
  申请人：Jerome Christine

  公开号：US20140066537A1

  公开（公告）日：2014-03-06

  The present invention relates an organic liquid composition comprising a mixture of a first polymer with a linear polymeric chain having two photoactive groups as endgroup; and a second polymer with a multifunctional polymeric chain having at least three photoactive groups, that can reversibly and repeatedly crosslink to form a solid polymer network wherein said liquid composition been crosslinked by irradiation with at least one wavelength L1 and been uncrosslinked at least locally by irradiating the network with at least one other wavelength L2 in order to repeatedly adjust shape and optical properties of said composition in its crosslinked state. The composition is applicable as a starting material for intraocular lenses and for other lenses and optical elements.

  本发明涉及一种有机液体组合物，该组合物包括第一聚合物和第二聚合物。其中，第一聚合物具有具有两个光活性基团的线性聚合物链作为末端基团；第二聚合物具有至少三个光活性基团的多功能聚合物链，可以可逆地和重复地交联形成固体聚合物网络。该液体组合物通过至少一种波长L1的辐射交联，并通过至少一种其他波长L2的辐射在局部至少解交联，以重复调整其交联状态下的形状和光学性能。该组合物适用于人工晶状体和其他透镜和光学元件的起始材料。
• A self-assembled conjugated micelle with improved sensitivity for monitoring alkaline phosphatase activity
  作者：Sujin Jung、Tae Eun Park、Seoung Ho Lee

  DOI：10.1016/j.tetlet.2019.06.062

  日期：2019.7

  An amphiphilic coumarin derivative which forms a pi-extended micelle conformation 1 was designed and developed. The exciton efficiently migrates throughout the coumarin aggregates of 1, showing amplified fluorescence quenching in the presence of Cu2+ ions. The 1-Cu2+ complex displays a highly sensitive response to pyrophosphate (PPi), leading to 80% fluorescence recovery. The activity of alkaline phosphatase (ALP) was monitored by a real-time assay where a solution containing 1, Cu2+ and PPi in aqueous solution exhibits a sensitive turn-off fluorescence response to ALP. (C) 2019 Elsevier Ltd. All rights reserved.
• Eltamany, S. H.; El-Deen, I. M.; El-Fattah, M. E. Abd, Pakistan Journal of Scientific and Industrial Research, 1995, vol. 38, # 3-4, p. 115 - 118
  作者：Eltamany, S. H.、El-Deen, I. M.、El-Fattah, M. E. Abd

  DOI：——

  日期：——
• Synthesis and Biological Evaluation of a Novel Series of 1,3-Dicoumarinyl-5-aryl-2-pyrazolines
  作者：Milan Čačić、Maja Molnar、Ivica Strelec

  DOI：10.3987/com-11-12196

  日期：——

  In the present paper novel 1,3,5-trisubstituted 2-pyrazolines (4a-q) were synthesized via condensation of different substituted 3-cinnamoyl-2-oxo-2H-chromenes (2a-q) with 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetohydrazide (3). Chalcones were prepared via Claisen-Schmidt condensation by refluxing 3-acetyl-2-oxo-2H-chromen (1) with corresponding aldehydes in ethanol, in the presence of piperidine. All of these compounds were characterized by means of their IR, (1)H NMR and LC/MS/MS spectroscopic data and elemental microanalysis. Chalcones and pyrazolines were screened for their antioxidant and iron chelating activity.