| 252006-63-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• CAS: 252006-63-6
• 化学式: C₃₂H₂₆O₄
• 分子量: 474.556
• InChiKey: IQQTYPKJTFOUES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  36.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 氨基硫脲 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以52%的产率得到5,5'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis(4,5-dihydro-3-phenyl-1H-pyrazole-1-thiocarboxamide)
  参考文献：
  名称：

  Facile synthesis of bis(4,5-dihydro-1H-pyrazole-1-carboxamides) and their thio-analogues of potential PGE2 inhibitory properties

  摘要：

  A variety of bis(3-aryl-4,5-dihydro-1H-pyrazole-1-thiocarboxamides) 2a-h were prepared via reaction of bis(2-propen-1-ones) 1a-h with thiosemicarbazide in ethanolic KOH solution. Meanwhile, bis(3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides) 3a-d were obtained through reaction of 1a-d with semicarbazide hydrochloride in refluxing with acetic acid. Anti-inflammatory activity screening of the synthesized compounds 2a-f,h; 3a-d (at a dose of 50 mg/kg of body weight) utilizing in vivo acute carrageenan-induced paw oedema standard method in rats exhibited that many of the tested compounds reveal considerable anti-inflammatory properties, especially 2e and f which reveal remarkable activities relative to indomethacin (which was used as a reference standard at a dose of 10 mg/kg of body weight). Ulcerogenic liability for the most promising prepared anti-inflammatory active agents (2b,c,e and f) (at a dose of 50 mg/kg of body weight) using indomethacin as a reference standard (at a dose of 10 mg/kg of body weight) indicated that compounds 2b and c exhibit lower ulcer index values than the used reference standard itself PGE(2) inhibitory properties of the highly promising synthesized anti-inflammatory active agents (2b,c,e and f) were determined by PGE2 assay kit technique, which reveal remarkable activities coincide greatly with the observed anti-inflammatory properties. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.10.020
• 作为产物：
  描述：

  2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 、 苯乙酮 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  某些新型双（3-吡啶甲腈）衍生物的合成和血管舒张活性

  摘要：

  各种双（2-烷氧基-6-芳基-3- pyridinecarbonitriles）的4A -米制备经由双反应（2-丙烯-1-酮）3A -克与丙二腈在KOH的存在下适当的醇。假定该反应是通过迈克尔加成反应，然后由于在腈基之一上的醇盐亲核攻击而环化而发生的。该假设通过在适当的醇中在KOH存在下，亚甲基丙二腈5与相应的苯乙酮2的反应得到证实。起始bis（2-propen-1-ones）3e和f立体选择性地制备为通过在乙醇KOH溶液中双苯甲醛1与取代的苯乙酮2e和f的缩合得到E， E'-几何异构体。利用去甲肾上腺素盐酸盐预收缩的离体大鼠胸主动脉对合成化合物4a – g和4i – m的血管舒张活性筛选显示，许多受试化合物均显示出显着的血管舒张特性，尤其是4e和f具有显着活性。

  DOI：

  10.1016/j.ejmech.2010.08.032

文献信息

• Synthesis and Tuberculostatic Activity of Pyrrolyl and Pyrazolinyl Podands
  作者：O. V. Fedorova、I. G. Ovchinnikova、M. A. Kravchenko、S. N. Skornyakov、G. L. Rusinov、O. N. Chupakhin、V. N. Charushin

  DOI：10.1007/s10593-014-1549-5

  日期：2014.10

  fragments have been synthesized. A hypothesis was proposed that closure of the pyrrole ring in the presence of alumina nanoparticles may proceed through 1,4-addition of nitroethane to the chalcone podand to give the Michael adduct rather than through an iminium intermediate usually observed in the reactions of α,β-unsaturated ketones (chalcones) in the presence of Lewis acids. Moderate tuberculostatic

  已经合成了含有吡咯或吡唑啉片段的新豆荚。提出了一种假设，即在氧化铝纳米粒子存在下，吡咯环的封闭可以通过将1,4-硝基乙烷添加到查尔酮豆荚中而形成迈克尔加合物，而不是通过通常在α，β反应中观察到的亚胺中间体来进行。路易斯酸存在下的不饱和酮（查耳酮）。发现最初的查尔酮荚足具有适度的结核抑制活性。在随后对查耳酮片段进行修饰以给出五元杂环时发现了更大的此类活性。吡咯衍生物在所获得的杂芳基podand中显示出最大的活性。
• Synthesis of oxocyclohexenecarboxylic acids and podands derived therefrom under heterogeneous catalysis
  作者：M. S. Valova、O. V. Koryakova、I. N. Ganebnykh、A. N. Murashkevich、O. V. Fedorova

  DOI：10.1134/s1070428014100066

  日期：2014.10

  Nanosized Al, Mg, and Ti-Si oxides, as well as barium hydroxide, have been tested as heterogeneous catalysts in the Robinson reaction with 2-ethoxy-substituted chalcone and podands based thereon. Barium hydroxide catalyzes the first step of the Robinson reaction, Michael addition, while its activity in the second step involving intramolecular cyclization and dehydration is lower. Nanosized oxides effectively catalyze the second step of the Robinson reaction and hamper elimination of the carboxy group. Procedures have been developed for the synthesis of oxocyclohexenecarboxylic acid derivatives and symmetric and asymmetric podands based thereon.