4-(p-硝基苯氧基)丁酸甲酯 | 28341-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(p-硝基苯氧基)丁酸甲酯
• 中文别名: 4-(对硝基苯氧基)-丁基甲酯
• 英文名称: methyl 4-(4-nitrophenoxy)butyrate
• 英文别名: 4-(4-nitrophenoxy)-n-butyric acid methyl ester；p-Nitro-phenoxy-buttersaeure-methylester；Methyl 4-(p-nitrophenoxy)butyrate；methyl 4-(4-nitrophenoxy)butanoate
• CAS: 28341-53-9
• 化学式: C₁₁H₁₃NO₅
• mdl: MFCD00043608
• 分子量: 239.228
• InChiKey: MJMZBXYBWMBFNY-UHFFFAOYSA-N

物化性质

• 熔点：
  56-57 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• 沸点：
  377.1±22.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-(p-硝基苯氧基)丁酸甲酯 在 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以64.3%的产率得到4-(4-nitrophenoxy)butanoic acid
  参考文献：
  名称：

  바르비투르산 유도체 화합물을 유효성분으로 포함하는 살충제

  摘要：

  本发明提供了一种可以用于开发新的杀虫剂原料，以替代产生多种副作用，如抗性害虫的发展，对人畜的毒性，环境污染和残留问题等有机合成农药的巴比妥酸诱导体化合物，以及包含其作为有效成分的杀虫剂组合物。

  公开号：

  KR20220066701A
• 作为产物：
  描述：

  对硝基苯酚 、 4-溴丁酸甲酯 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 72.0h， 以2.2 g的产率得到4-(p-硝基苯氧基)丁酸甲酯
  参考文献：
  名称：

  바르비투르산 유도체 화합물을 유효성분으로 포함하는 살충제

  摘要：

  本发明提供了一种可以用于开发新的杀虫剂原料，以替代产生多种副作用，如抗性害虫的发展，对人畜的毒性，环境污染和残留问题等有机合成农药的巴比妥酸诱导体化合物，以及包含其作为有效成分的杀虫剂组合物。

  公开号：

  KR20220066701A

文献信息

• Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material
  申请人：——

  公开号：US20020081646A1

  公开（公告）日：2002-06-27

  Polyhydroxyalkanoates comprising a monomer unit having the following chemical formula (2): 1 (where the reference characters R represents an arbitrarily selected substituent and x represents an integer of 0 to 8) is produced by culturing a microorganism in a culture medium containing a substituted fatty acid ester having the following chemical formula (1): 2 (where the reference characters R and R′ separately denote an optional substituent and x represents an integer of 0 to 8). The microorganism is capable of taking the substituted fatty acid ester into the cells and synthesizing the desired polyhydroxyalkanoate in the culture medium.

  通过在含有以下化学式（1）的取代脂肪酸酯的培养基中培养微生物，产生具有以下化学式（2）的单体单位的聚羟基烷酯（其中参考字符R代表任意选择的取代基，x代表0到8的整数）。该微生物能够将取代脂肪酸酯带入细胞并在培养基中合成所需的聚羟基烷酯。
• Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1201763A2

  公开（公告）日：2002-05-02

  Polyhydroxyalkanoates comprising a monomer unit having the following chemical formula (2): (where the reference characters R represents an arbitrarily selected substituent and x represents an integer of 0 to 8) is produced by culturing a microorganism in a culture medium containing a substituted fatty acid ester having the following chemical formula (1): (where the reference characters R and R' separately denote an optional substituent and x represents an integer of 0 to 8). The microorganism is capable of taking the substituted fatty acid ester into the cells and synthesizing the desired polyhydroxyalkanoate in the culture medium.

  聚羟基烷酸酯由具有以下化学式(2)的单体单元组成： (其中参考字符 R 代表任意选择的取代基，x 代表 0 至 8 的整数），通过在含有具有以下化学式（1）的取代脂肪酸酯的培养基中培养微生物而制得： (其中参考字符 R 和 R'分别表示任选取代基，x 表示 0 至 8 的整数）。微生物能够将取代脂肪酸酯带入细胞，并在培养基中合成所需的聚羟基烷酸酯。
• The discovery and optimization of novel dual inhibitors of topoisomerase ii and histone deacetylase
  作者：Xuan Zhang、Bin Bao、Xiuhua Yu、Linjiang Tong、Yu Luo、Qingqing Huang、Mingbo Su、Li Sheng、Jia Li、Hong Zhu、Bo Yang、Xiongwen Zhang、Yi Chen、Wei Lu

  DOI：10.1016/j.bmc.2013.09.023

  日期：2013.11

  A novel class of podophyllotoxin derivatives have been designed and synthesized based on the synergistic antitumor effects of topoisomerase II and histone deacetylase inhibitors. Their inhibitory activities towards histone deacetylases and Topo II and their cytotoxicities in cancer cell lines were evaluated. The aromatic capping group connection, linker length and zinc-binding group were systematically varied and preliminary conclusions regarding structure-activity relationships are discussed. Among all of the synthesized hybrid compounds, compound 24d showed the most potent HDAC inhibitory activity at a low nanomolar level and exhibited powerful antiproliferative activity towards HCT116 colon carcinoma cells at a low micromolar level. Further exploration of this series led to the discovery of potent dual inhibitor 32, which exhibited the strongest in vitro cytotoxic activity. (C) 2013 Elsevier Ltd. All rights reserved.
• DNA-directed alkylating agents. 3. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the length of the linker chain
  作者：Kisione K. Valu、Trudi A. Gourdie、Theodore J. Boritzki、G. Lance Gravatt、Bruce C. Baguley、William R. Wilson、Laurence P. G. Wakelin、Paul D. Woodgate、William A. Denny

  DOI：10.1021/jm00173a016

  日期：1990.11

  Four series of acridine-linked aniline mustards have been prepared and evaluated for in vitro cytotoxicity, in vivo antitumor activity, and DNA cross-linking ability. The anilines were attached to the DNA-intercalating acridine chromophores by link groups (-O-, -CH2-, -S-, and -SO2-) of widely varying electronic properties, providing four series of widely differing mustard reactivity where the alkyl chain linking the acridine and mustard moieties was varied from two to five carbons. Relationships were sought between chain length and biological properties. Within each series, increasing the chain length did not alter the reactivity of the alkylating moiety but did appear to position it differently on the DNA, since cross-linking ability (measured by agarose gel assay) altered with chain length, being maximal with the C4 analogue. The in vivo antitumor activities of the compounds depended to some extent on the reactivity of the mustard, with the least reactive SO2 compounds being inactive. However, DNA-targeting did appear to allow the use of less reactive mustards, since the S-linked acridine mustards showed significant activity whereas the parent S-mustard did not. Within each active series, the most active compound was the C4 homologue, suggesting some relationship between activity and extent of DNA alkylation.
• VALU, KISIONE K.;GOURDIE, TRUDI A.;BORITZKI, THEODORE J.;GRAVATT, G. LANC+, J. MED. CHEM., 33,(1990) N1, C. 3014-3019
  作者：VALU, KISIONE K.、GOURDIE, TRUDI A.、BORITZKI, THEODORE J.、GRAVATT, G. LANC+

  DOI：——

  日期：——

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