2-乙基己基乙酰乙酸酯 | 6079-97-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 2-乙基己基乙酰乙酸酯
• 英文名称: 2-ethylhexyl 3-oxobutanoate
• 英文别名: acetoacetic acid-(2-ethyl-hexyl ester)；Acetessigsaeure-(2-aethyl-hexylester)；2-ethylhexyl acetoacetate；2-Ethyl-hexyl-acetoacetat；2-Ethylhexylacetoacetat
• CAS: 6079-97-6
• 化学式: C₁₂H₂₂O₃
• 分子量: 214.305
• InChiKey: QAUIAXORENGBSN-UHFFFAOYSA-N

物化性质

• 沸点：
  253.8±8.0 °C(Predicted)
• 密度：
  0.941±0.06 g/cm3(Predicted)
• LogP：
  3.268 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  乙烯酮 、 2-乙基己基乙酰乙酸酯 在 sodium monochloroacetic acid 作用下， 生成 Triacetylessigsaeure-2-aethylhexylester
  参考文献：
  名称：

  Eck,H.; Prigge,H., Justus Liebigs Annalen der Chemie, 1970, vol. 731, p. 12 - 17

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙基己醇 、 乙酰乙酸甲酯 以 neat (no solvent) 为溶剂， 反应 3.0h， 以85%的产率得到2-乙基己基乙酰乙酸酯
  参考文献：
  名称：

  通过酯交换反应高效合成β-酮酸酯及其在无溶剂，无催化剂条件下的Biginelli反应中的应用

  摘要：

  通过在无溶剂，无催化剂的条件下，在110°C下将β-酮酸酯甲基与高级醇反应，可以简单而有效地合成β-酮酸酯衍生物，并将其用于合成3,4已经描述了通过Biginelli反应的-二氢嘧啶-2（1H）-一个C-5酯衍生物。

  DOI：

  10.1016/j.tetlet.2013.09.130

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。
• Improved process for the preparation of substituted furanones
  申请人：QUANTUM CHEMICAL CORPORATION (a Virginia corp.)

  公开号：EP0348549A1

  公开（公告）日：1990-01-03

  This invention relates to an improved process for the preparation of 3-acyl-5-alkyldihydro-2(3H)-furanones according to the following reaction scheme: wherein R and R1 are hydrogen or alkyl and R2 is a hydrocarbon or -0-hydrocarbon radical of from 1 to 20 carbon atoms and X is a leaving group.

  这项发明涉及一种改进的制备3-酰基-5-烷基二氢-2(3H)-呋喃酮的过程，根据以下反应方案进行：其中R和R1为氢或烷基，R2为含有1至20个碳原子的烃或-0-烃基，X为离去基团。
• Photo stable organic sunscreen compositions
  申请人：EMD CHEMICALS, INC.

  公开号：US20040247536A1

  公开（公告）日：2004-12-09

  Photostable broad-spectrum organic sunscreen compositions comprising a UV-A sunscreen, such as Avobenzone, a photostabilizer, a UV-B liquid organic sunscreen, and a solubilizer and further enhancing the photostability by encapsulation using a sol-gel process.

  具有光稳定性的广谱有机防晒霜组合物包括UV-A防晒霜，如阿伏苯宗，光稳定剂，UV-B液体有机防晒霜，溶解剂，并通过溶胶-凝胶过程进行封装以进一步增强光稳定性。