ethyl (4-oxo-4-phenyl-butyryl) carbonate | 1028280-67-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl (4-oxo-4-phenyl-butyryl) carbonate
• 英文别名: Ethoxycarbonyl 4-oxo-4-phenylbutanoate
• CAS: 1028280-67-2
• 化学式: C₁₃H₁₄O₅
• 分子量: 250.251
• InChiKey: HJVJJTMQYUDBML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (4-oxo-4-phenyl-butyryl) carbonate 反应 0.5h， 生成
  参考文献：
  名称：

  Kozikowski, Alan P.; Ma, Dawei; Romeo, Elena, Angewandte Chemie, 1992, vol. 104, # 8, p. 1092 - 1094

  摘要：

  DOI：
• 作为产物：
  描述：

  氯甲酸乙酯 、 3-苯丙烯溴酸酯 在 三乙胺 作用下， 以 DCE 为溶剂， 反应 0.25h， 生成 ethyl (4-oxo-4-phenyl-butyryl) carbonate
  参考文献：
  名称：

  氟西汀的新合成路线

  摘要：

  外消旋氟西汀由 3-苯甲酰丙酸分五步合成，总产率为 54%。

  DOI：

  10.1080/00397910903422518

文献信息

• Chemistry, binding affinities, and behavioral properties of a new class of "antineophobic" mitochondrial DBI receptor complex (mDRC) ligands
  作者：A. P. Kozikowski、D. Ma、James Brewer、S. Sun、E. Costa、E. Romeo、A. Guidotti

  DOI：10.1021/jm00072a010

  日期：1993.10

  detailed herein delineate some of the structural features required for high affinity binding to the mDRCs. In most cases the new ligands were prepared by use of the Fischer indole synthesis. Variations in the length and number of the alkyl groups on the amide nitrogen were probed together with the effects of halogen substituents on one or both of the aryl rings. Some ligands were also synthesized for

  线粒体DBI受体复合物（mDRC；以前称为外围苯二氮卓受体）与神经甾体（如硫酸孕烯醇酮，硫酸脱氢表雄酮等）的产生有关。为了获得有关mDRC在大脑中的功能的更多信息，我们已经在体内和体外构建和测试了一系列新型的配体2-芳基吲哚-3-乙酰胺。本文详述的SAR研究描述了高亲和力与mDRC结合所需的一些结构特征。在大多数情况下，新的配体是通过Fischer吲哚合成法制备的。探讨了酰胺氮上烷基长度和数目的变化，以及在一个或两个芳环上的卤素取代基的影响。还合成了一些用于研究的配体，它们代表了母体结构的构象受限形式。广泛的筛选研究表明，这些吲哚乙酰胺对mDRC具有高度选择性，因为它们无法以任何显着的亲和力与其他受体系统结合。通过[3H] 4'-氯二氮杂苯的置换测量，发现一些配体对mDRC表现出低纳摩尔范围的Ki值。还显示了这些配体的一个子集可刺激C6-2B胶质瘤细胞线粒体中孕烯醇酮的形成，其EC50约为3
• Diaryldiamines with Dual Inhibition of the Histamine H₃ Receptor and the Norepinephrine Transporter and the Efficacy of 4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in Pain
  作者：Robert J. Altenbach、Lawrence A. Black、Marina I. Strakhova、Arlene M. Manelli、Tracy L. Carr、Kennan C. Marsh、Jill M. Wetter、Erica J. Wensink、Gin C. Hsieh、Prisca Honore、Tiffany Runyan Garrison、Jorge D. Brioni、Marlon D. Cowart

  DOI：10.1021/jm100666w

  日期：2010.11.11

  A series of compounds was designed as dual inhibitors of the H-3 receptor and the norepinephrine transporter. Compound 5 (rNET K-i = 14 nM; rH(3)R K-i = 37 nM) was found to be efficacious in a rat model of osteoarthritic pain.
• 10-Phenylbutyryl-substituted anthracenones as inhibitors of keratinocyte growth and LTB4 biosynthesis
  作者：Klaus Müller、Klaus Breu、Hans Reindl

  DOI：10.1016/s0223-5234(01)01212-0

  日期：2001.2

  A recent observation that phenylbutyryl anthracenone 2, an analogue of the antipsoriatic anthralin, is a potent inhibitor of leukotriene B-4 (LTB4) biosynthesis has prompted a search of other anthracenones with improved antiproliferative activity. In that direction, a limited number of analogues related to 2 have been prepared and evaluated in the HaCaT keratinocytes proliferation and in the polymorphonuclear leukocyte LTB4 assay. The 4-methoxy analogue 2a and the side chain methylated 21 retain the full inhibitory activity of 1 against LTB4 biosynthesis while their antiproliferative activity is markedly enhanced and comparable to that of the antipsoriatic anthralin. In contrast to anthralin, cytotoxic effects against cell membranes are strongly reduced as documented by the LDH activity released from cytoplasm of keratinocytes. (C) 2001 Editions scientifiques et medicales Elsevier SAS.
• Kozikowski, Alan P.; Ma, Dawei; Romeo, Elena, Angewandte Chemie, 1992, vol. 104, # 8, p. 1092 - 1094
  作者：Kozikowski, Alan P.、Ma, Dawei、Romeo, Elena、Auta, James、Papadopoules, Vissilios、et al.

  DOI：——

  日期：——
• Novel Synthetic Route to Fluoxetine
  作者：Matthias Schulze

  DOI：10.1080/00397910903422518

  日期：2010.10.20

  Racemic fluoxetine was synthesized from 3-benzoylpropionic acid in five steps in 54% overall yield.

  外消旋氟西汀由 3-苯甲酰丙酸分五步合成，总产率为 54%。