丁烷-1,4-二基二乙酰乙酸酯 | 13018-41-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: 丁烷-1,4-二基二乙酰乙酸酯
• 英文名称: tetramethylene di(3-oxobutanoate)
• 英文别名: Butane-1,4-diyl diacetoacetate；4-(3-oxobutanoyloxy)butyl 3-oxobutanoate
• CAS: 13018-41-2
• 化学式: C₁₂H₁₈O₆
• 分子量: 258.271
• InChiKey: IHSFHIUGYHMYNR-UHFFFAOYSA-N

物化性质

• 沸点：
  371.4±27.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  丁烷-1,4-二基二乙酰乙酸酯 、 1,1,6,6-tetraphenyl-1,5-hexadiene 在 manganese(III) triacetate dihydrate 、 溶剂黄146 作用下， 反应 0.67h， 以66%的产率得到11,20-dimethyl-2,9-dioxo-13,13,18,18-tetraphenyl-3,8,12,19-tetraoxatricyclo<15.3.0.0^10.14>icosa-10,20-diene
  参考文献：
  名称：

  Efficient macrocyclization using methylene-tethered terminal dienes and bis(manganese(III)-enolate)s

  摘要：

  Macrocyclic compounds, which have two fused dihydrofuran rings, were synthesized with complete control by the oxidation of alpha,alpha,omega,omega-tetraaryl-alpha(omega-1)-alkadienes 1(x) with manganese(III)-oligomethylenebis(enolate) complexes directly formed by the reaction of the ohgomethylene bis(3-oxobutanoate)s 2(y) with manganese(III) acetate in situ The oxamethylene-tethered macrodiolides 5 and 7 were also produced in good to moderate yields by a similar oxidation The key intermediate, an election donor-acceptor-like complex, was proposed for the efficient macrocyclization reaction (C) 2010 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.tet.2010.02.022
• 作为产物：
  描述：

  1,4-丁二醇 、 乙酰乙酸甲酯 在 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以90%的产率得到丁烷-1,4-二基二乙酰乙酸酯
  参考文献：
  名称：

  Assembling Polycyclic Bisguanidine Motifs Resembling Batzelladine Alkaloids by Double Tethered Biginelli Condensations

  摘要：

  Double tethered Biginelli condensations furnish linked polycyclic bisguanidines or bisureas. Alteration of the bis-beta-ketoester component allows bispolycyclic guanidine motifs to be constructed that resemble natural batzelladine alkaloids or have novel linkages.

  DOI：

  10.1021/ol0357999

文献信息

• ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION AND BETA-DIKETONE COMPOUND
  申请人：Yamada Takashi

  公开号：US20100129753A1

  公开（公告）日：2010-05-27

  An alkali developable photosensitive resin composition contains (J) a photopolymerizable unsaturated compound having a structure resulting from the addition reaction of (B) a compound having a β-diketone moiety or a compound having a β-ketoester group to the (meth)acryloyl group of (A) a compound having at least two (meth)acryloyl groups and a hydroxyl group and subsequent esterification of the hydroxyl group of the resulting addition product with (C) a polybasic acid anhydride. The compound having a β-diketone moiety is preferably a novel β-diketone compound represented by general formula (I): wherein R 1 is a C1-C20 alkyl group; R 2 represents R 11 , OR 11 , COR 11 , SR 11 , CONR 12 R 13 , or CN; R 11 , R 12 , and R 13 are each hydrogen, a C1-C20 alkyl group, etc.; a is 0 to 3; and b is 0 to 4.

  一种可由碱显影的光敏树脂组合物，含有（J）一种光聚合不饱和化合物，该化合物的结构是由（B）含β-二酮基团或含β-酮酯基团的化合物与（A）含至少两个(甲基)丙烯酰基团和一个羟基的化合物中的(甲基)丙烯酰基团发生加成反应，并随后将所得加成产物的羟基与（C）多元酸酐进行酯化反应得到的。含β-二酮基团的化合物最好是表示为通用公式（I）的一种新型β-二酮化合物：其中R1是C1-C20烷基团；R2代表R11、OR11、COR11、SR11、CONR12R13或CN；R11、R12和R13分别是氢、C1-C20烷基团等；a是0到3；b是0到4。
• Michael Acceptor Having Multiple Hydroxyl Groups, and Michael Addition Product Derived Therefrom
  申请人：Korea Research Institute of Chemical Technology

  公开号：US20130331600A1

  公开（公告）日：2013-12-12

  Provided is a Michael addition product prepared from a multifunctional acryl monomer having multiple hydroxyl groups allowing introduction of acryl functional groups, as a Michael acceptor, and a Michael donor. The Michael addition product is a novel multifunctional compound having an oligomer and a photoinitiator moiety in the molecule. Since it can be cured under a standard UV curing condition without having to add a photoinitiator, it is reduced to air pollution or health problem. Therefore the superior physical properties were obtained by cured coatings without surface tackiness. In addition, its hydroxyl groups allow, through isocyanate bonding or introduction of acryl groups, 3-dimensional crosslinking and molecular and compositional design for improving expandability, friction, and reactivity and hydrophilicity for self-adhesion, hardness of cured film, or the like. Consequently, a very useful, multifunctional or water-dispersible coating composition may be prepared.

  提供的是从具有多个羟基的多功能丙烯酸单体制备的Michael加成产物，允许引入丙烯酸功能团作为Michael受体和Michael给体。该Michael加成产物是一种新颖的多功能化合物，在分子中具有寡聚体和光引发剂基团。由于它可以在标准紫外光固化条件下固化，无需添加光引发剂，因此减少了空气污染或健康问题。因此，通过固化涂层获得了优越的物理性能，而无需表面粘性。此外，其羟基通过异氰酸酯键合或引入丙烯基，允许进行三维交联和分子和组成设计，以改善可扩展性、摩擦、反应性和亲水性，用于自粘附、固化膜的硬度等。因此，可以制备非常有用的多功能或水分散性涂料组合物。
• CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF
  申请人：RESEARCH & BUSINESS FOUNDATION SUNGKYUNKWAN UNIVERSITY

  公开号：US20150119583A1

  公开（公告）日：2015-04-30

  A catalyst for an organic reaction and a method of using a catalyst in an organic reaction are provided. The catalyst for an addition or condensation reaction includes a graphene oxide including an oxygen functional group, and the catalyst is configured to promote the addition or condensation reaction by bonding the oxygen functional group with an alkali metal ion or alkali earth metal ion during the addition or condensation reaction.

  提供了一种有机反应的催化剂以及在有机反应中使用催化剂的方法。用于加成或缩合反应的催化剂包括氧功能团的氧化石墨烯，该催化剂配置为通过在加成或缩合反应期间将氧功能团与碱金属离子或碱土金属离子结合来促进加成或缩合反应。
• Multicomponent Combinatorial Polymerization via the Biginelli Reaction
  作者：Haodong Xue、Yuan Zhao、Haibo Wu、Zilin Wang、Bin Yang、Yen Wei、Zhiming Wang、Lei Tao

  DOI：10.1021/jacs.6b04425

  日期：2016.7.20

  A multicomponent combinatorial polymerization method has been exploited as a new intersection between combinatorial chemistry, polymer chemistry, and organic chemistry. The tricomponent Biginelli reaction has been employed as a model multicomponent reaction (MCR) to efficiently prepare a library of polycondensates with continuously changed chain structure but different physical properties. The naturally

  多组分组合聚合方法已被用作组合化学、聚合物化学和有机化学之间的新交叉点。三组分 Biginelli 反应已被用作模型多组分反应 (MCR)，以有效地制备具有不断变化的链结构但物理性质不同的缩聚物库。自然增加的反应模块（单体）直接使库中聚合物的数量增加了一倍，有效提高了聚合物制备的效率。首次绘制了这些同源聚合物的玻璃化转变温度 (Tg) 以预测不存在的聚合物同系物的 Tg 值，并且具有良好到出色的准确度。同时，Tg图还被用来揭示Tg根据聚合物结构（连接基团、单体链长等）的规律变化，初步表明了多组分组合聚合体系的学术意义。我们相信，当前的研究为通过 MCR 合成新的聚合物库铺平了道路，并可能促进跨学科领域对 MCR 的更广泛研究。
• KETOCARBOXYLIC ACIDS, METHODS OF MANUFACTURE AND USES THEREOF
  申请人：MULLEN Brian D.

  公开号：US20120123147A1

  公开（公告）日：2012-05-17

  Ketocarboxylic acids such as levulinic acid can be efficiently purified in high yield by esterification with a hydrocarbon polyol to the corresponding polyketocarboxylic ester, which can be readily purified, for example recrystallized. After purification, the ketocarboxylic ester can be hydrolyzed to provide pure ketocarboxylic acid, or a salt thereof, after removal of the esterifying hydrocarbon polyol, or used for other synthetic transformations. Advantageously, the polyketocarboxylic esters, ketocarboxylic acids, and salts thereof produced by this method are obtained in high purity.

  酮羧酸（如丙酮酸）可以通过与碳氢化合物多元醇酯化来高产率高效纯化，得到相应的多羟基酮羧酸酯，该酯可容易地纯化，例如再结晶。纯化后，酮羧酸酯可以水解以提供纯净的酮羧酸或其盐，在去除酯化碳氢化合物多元醇后，或用于其他合成转化。优点是，通过这种方法生产的多羟基酮羧酸酯、酮羧酸和盐具有高纯度。