4-Chlor-benzoesaeure-kohlensaeure-ethylester-anhydrid | 14189-18-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Chlor-benzoesaeure-kohlensaeure-ethylester-anhydrid
• 英文别名: Ethoxycarbonyl 4-chlorobenzoate
• CAS: 14189-18-5
• 化学式: C₁₀H₉ClO₄
• 分子量: 228.632
• InChiKey: XEUXFKCZLYJMQW-UHFFFAOYSA-N

物化性质

• 沸点：
  309.4±44.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chlor-benzoesaeure-kohlensaeure-ethylester-anhydrid 在 Tulusion A-27 exchange resin supporting borohydride anion 、 nickel diacetate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 4-氯苯甲醇
  参考文献：
  名称：

  使用硼氢化物交换树脂（BER）-乙酸镍选择性地将羧酸的混合酸酐还原为醇

  摘要：

  用硼氢化物交换树脂-乙酸镍在温和的条件下以高收率将羧酸的混合酸酐选择性地还原为醇。

  DOI：

  10.1039/p19960001993
• 作为产物：
  描述：

  4-氯苯甲酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 在 甲醇 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 4-Chlor-benzoesaeure-kohlensaeure-ethylester-anhydrid
  参考文献：
  名称：

  Reduction of Symmetric and Mixed Anhydrides of Carboxylic Acids by Sodium Borohydride with Dropwise Addition of Methanol

  摘要：

  羧酸的对称与混合无水物在四氢呋喃中以分次加入甲醇的方式，用氢化钠还原，可获得高产率。

  DOI：

  10.1055/s-1987-28035

文献信息

• Traceless selenocarboxylates for the one-pot synthesis of amides and derivatives
  作者：Luana Silva、Alisson R. Rosário、Bianca M. Machado、Diogo S. Lüdtke

  DOI：10.1016/j.tet.2020.131834

  日期：2021.1

  procedure for glycosyl amides synthesis using selenocarboxylate as traceless reagent. Herein, we present a further application of selenocarboxylate-azide reaction for amide bond formation on a broader range of substrates, including heterocyclic systems and fatty acid. This method proved to be highly efficient for the synthesis of primary and secondary amides, sulfonamides, imides, phosphoramide and also

  我们最近报道了使用硒代羧酸盐作为无痕迹试剂的一锅法合成糖基酰胺的方法。在本文中，我们提出硒羧酸叠氮化物反应在更宽范围的底物（包括杂环系统和脂肪酸）上形成酰胺键的进一步应用。事实证明，该方法对于合成伯酰胺和仲酰胺，磺酰胺，酰亚胺，磷酰胺以及氨基甲酸酯非常有效。
• Synthesis and Biological Activity of Some Novel <i>N</i>-Aryl-<i>N</i>′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]ureas
  作者：Xin-Jian Song、Xiao-Hong Tan、Yan-Gang Wang

  DOI：10.1080/10426500701415857

  日期：2007.6.14

  With the aim of searching for biologically active urea compounds, a series of new N-aryl-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]ureas have been designed and synthesized. Their structures were confirmed by IR, 1H NMR, and elemental analysis. The crystal structure of 3f was further determined by single crystal X-ray diffraction to obtain the structural information on this class of compounds. The preliminary

  为了寻找具有生物活性的脲类化合物，设计了一系列新的 N-芳基-N'-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]ureas 并合成的。它们的结构经IR、1H NMR和元素分析证实。通过单晶X射线衍射进一步确定3f的晶体结构以获得该类化合物的结构信息。初步生物测定表明标题化合物表现出有希望的细胞分裂素活性。
• Nevarez, Danielle M.; Mengistu, Yemane A.; Nawarathne, Irosha N., Journal of the American Chemical Society, 2009, vol. 131, p. 5994 - 6002
  作者：Nevarez, Danielle M.、Mengistu, Yemane A.、Nawarathne, Irosha N.、Walker, Kevin D.

  DOI：——

  日期：——
• Matsuda, Yoshiro; Gotou, Hiromi; Oniyama, Yukio, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 11, p. 4307 - 4315
  作者：Matsuda, Yoshiro、Gotou, Hiromi、Oniyama, Yukio、Katou, Keisuke、Matsumoto, Hiroshi

  DOI：——

  日期：——
• Design and development of novel Mycobacterium tuberculosis l-alanine dehydrogenase inhibitors
  作者：Shalini Saxena、Ganesh Samala、Jonnalagadda Padma Sridevi、Parthiban Brindha Devi、Perumal Yogeeswari、Dharmarajan Sriram

  DOI：10.1016/j.ejmech.2014.12.046

  日期：2015.3

  In the present study, we used crystal structure of MTB L-AlaDH protein complex with N-6-methyl adenosine for structure based virtual screening of in house database to identify new small molecule inhibitors for MTB-L-AlaDH. Two molecules identified as better leads and were modified synthetically to obtain thirty novel analogues belonging to 2-iminothiazolidine-4-ones and 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamides. Among the screened compounds four (4n, 40,12 and 14) emerged as potent inhibitors displaying IC50 values ranging from 0.58 +/- 0.02 to 1.74 +/- 0.03 mu M against MTB-L-AlaDH and were non-cytotoxic at 50 mu M. Some of these synthesized compounds also exhibited good activity against nutrient starved dormant MTB cells. The most potent inhibitors were found to stabilize the protein which was confirmed biophysically through differential scanning fluorimetry. (C) 2015 Elsevier Masson SAS. All rights reserved.