benzoylacetoacetate | 1209413-06-8

• 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: benzoylacetoacetate
• 英文别名: Benzoyl acetoacetate；3-oxobutanoyl benzoate
• CAS: 1209413-06-8
• 化学式: C₁₁H₁₀O₄
• 分子量: 206.198
• InChiKey: CINADEDFMNGDSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-羟甲基丙烯酸乙酯 、 benzoylacetoacetate 在 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 以68%的产率得到2-acetyl-4-(ethoxycarbonyl)pent-4-enoic benzoic anhydride
  参考文献：
  名称：

  第一个由DMAP介导的环状和无环Baylis-Hillman醇与活性亚甲基化合物的无钯Tsuji-Trost型反应

  摘要：

  在改性泰伯条件（DMAP，甲苯，回流，4Å分子筛）下，用活性亚甲基化合物将环状Baylis-Hillman醇直接进行烯丙基取代，过程中通常不需要Pd催化剂/活化剂，从而得到C-烯丙基化产物，产率中等至良好。

  DOI：

  10.1016/j.tetlet.2009.11.053

文献信息

• [EN] 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE<br/>[FR] 2-OXO -3,4-DIHYDROPYRIDINE -5-CARBOXYLATES ET LEUR UTILISATION
  申请人：UNIV LILLE II DROIT & SANTE

  公开号：WO2016016238A1

  公开（公告）日：2016-02-04

  The present invention is directed to novel compounds of Formula (I), pharmaceutically acceptable salts or solvates thereof, and their use.

  本发明涉及公式（I）的新化合物，其药用盐或溶剂和它们的用途。
• Photocurable composition, process for producing photocurable resin, and crosslinked product
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1342738A1

  公开（公告）日：2003-09-10

  A photocurable composition is provided which yields an excellent tack-free, hard cured product without any addition of photoinitiators. A photocurable composition which is excellent in storage stability is also provided. The photocurable composition contains a resin having an acryloyl group and a chemical structure element selected from the group consisting of β-diketone groups and β-ketoester groups, wherein the β-diketone group or the β-ketoester group has a tetra-substituted carbon atom between two carbonyl groups, which is capable of generating one or two free radicals under photoirradiation, and the photocurable composition does not increase more than 25% in viscosity when heated at 60°C for 5 days.

  本发明提供了一种光固化组合物，无需添加任何光引发剂，即可获得极佳的无粘性硬固化产品。此外，还提供了一种储存稳定性极佳的光固化组合物。这种光固化组合物含有一种具有丙烯酰基和化学结构元素的树脂，该化学结构元素选自 β-二酮基和 β-酮酯基组成的组，其中 β-二酮基或 β-酮酯基在两个羰基之间有一个四取代碳原子，在光照射下能产生一个或两个自由基，在 60°C 下加热 5 天，光固化组合物的粘度增加不超过 25%。
• Initiator-free crosslinkable oligomers and polymers
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1342737A1

  公开（公告）日：2003-09-10

  Acrylate group-containing oligomers and polymers that produce hard, tack-free and crosslinked products in the presence of air under UV light free from added photoinitiator, obtainable by reacting monomeric, oligomeric or polymeric β-ketoesters and β-diketones with monomeric, oligomeric or polymeric acrylic acid esters, wherein a) the acrylic acid esters that are used are at least difunctional b) the reaction is carried out in the presence of 0.3-5.0 wt.% of catalyst c) the reaction temperature is 60°-140°C d) the reaction temperature is maintained until the viscosity of the acrylate group-containing oligomers and polymers that are formed is constant e) the ratio of acrylic acid groups to β-dicarbonyl groups is 2.5:1 to 20:1. The acrylate group-containing oligomers and polymers are suitable for producing UV-hardenable coatings, printing inks, adhesives, sheets and moulding compositions.

  含丙烯酸酯基团的低聚物和聚合物，可通过使单体、低聚或聚合的 β-酮酯和β-二酮与单体、低聚或聚合的丙烯酸酯反应，在空气存在下，在不添加光引发剂的紫外光下生成坚硬、无粘性和交联的产品，其中 a) 所使用的丙烯酸酯至少具有双官能度 b) 反应在 0.3-5.0 重量百分比的催化剂存在下进行 c) 反应温度为 60°-140°C d) 反应温度保持恒定，直至形成的含丙烯酸酯基团的低聚物和聚合物的粘度不变 e) 丙烯酸基团与 β-二羰基基团的比例为 2.5:1 至 20:1。 含丙烯酸酯基团的低聚物和聚合物适用于生产紫外线硬化涂料、印刷油墨、粘合剂、板材和模塑组合物。
• Synthesis and biological evaluation of some new coumarinyl thiazolopyrimidinones
  作者：Naazneen B. Yaragatti、Manohar V. Kulkarni、Manjunath D. Ghate、Satyanarayan S. Hebbar、Ganesh R. Hegde

  DOI：10.1080/17415990903569544

  日期：2010.4

  Two new series of coumarin linked, linear and angularly fused thiazolo-[3,2-a]-pyrimidinones have been synthesized from 3-bromoacetyl coumarins by azole and azine approaches. Regioisomeric 5H and 7H thiazolo-[3,2-a]-pyrimidinones have been clearly distinguished by their IR and UV fluorescence spectral data. All the compounds have been characterized by analytical and spectroscopic methods. Rate and yield enhancements have been achieved using microwave irradiation. The results of in vivo diuretic activity indicate that substituents on coumarin do not enhance the activity. In vitro antimicrobial activities have shown that the compounds are specifically active against Gram-positive but are inactive against Gram-negative bacterial strains. Moderate fungal activity was observed against Candida albicans and Penicillium chrysogenum and all the compounds were found to be inactive against Aspergillus niger.
• Multicomponent reactions leading to symmetric and asymmetric multi-substituted 1,4-dihydropyridines on montmorillonite
  作者：Yu-peng Liu、Jin-ming Liu、Xin Wang、Tie-ming Cheng、Run-tao Li

  DOI：10.1016/j.tet.2013.04.006

  日期：2013.6

  Highly functionalized multi-substituted symmetric and asymmetric 1,4-dihydropyridines were concisely synthesized in moderate to good yields via one-pot multicomponent reactions (MCRs) of beta-dicarbonyl compounds, aldehydes and amines at room temperature on montmorillonite. The merits of this method include the environmentally friendly reaction conditions, simple operation, broad substrate, satisfied yields and the reuse of the montmorillonite. (C) 2013 Elsevier Ltd. All rights reserved.