环氧乙烷基甲基乙酰乙酸酯 | 84643-60-7

• 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: 环氧乙烷基甲基乙酰乙酸酯
• 英文名称: oxiran-2-ylmethyl 3-oxobutanoate
• 英文别名: Glycidyl acetoacetate；oxiranylmethyl acetoacetate
• CAS: 84643-60-7
• 化学式: C₇H₁₀O₄
• 分子量: 158.154
• InChiKey: QOJCSHDIADEFAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  环氧乙烷基甲基乙酰乙酸酯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以35%的产率得到glycerol 1-acetate 2,3-carbonate
  参考文献：
  名称：

  Conformational influence on intramolecular cyclization for a β-ketoester containing oxirane ring: A theoretical and experimental study

  摘要：

  Conformational preference for the (oxiran-2-ylmethyl 3-oxobutanoate) (11) (beta-ketoester) was studied using theoretical calculation and experimental data to demonstrate the influence of the conformation on the absence of intramolecular cyclization reaction to produce butyrolactones. Transition state structure was obtained from theoretical calculation, it can be observed that the beta-ketoester (CH3COCH2COO-R) moiety changes its conformation from the more stable trans-s-cis to the more energetic trans-s-trans in the transition state to acquire a suitable symmetry for the process to occur. It is therefore demonstrated theoretically and experimentally that the absence of intramolecular cyclization is due to the high energy (4.0 kcal mol(-1)) of the trans-s-trans conformation in comparison with the more stable conformation. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.02.017
• 作为产物：
  描述：

  缩水甘油 、 乙酰乙酸甲酯 在 niobium(V) oxide 作用下， 以 甲苯 为溶剂， 反应 5.5h， 以76%的产率得到环氧乙烷基甲基乙酰乙酸酯
  参考文献：
  名称：

  氧化铌（Vb）：一种新型高效的β-酮酯酯交换反应催化剂

  摘要：

  氧化铌（V）是β-酮酸酯与多种醇进行酯交换的有效催化剂，可实现良好的转化率。以比最近报道的各种催化剂更快的速率获得了中等至良好的分离产物产率。

  DOI：

  10.1016/j.tetlet.2005.01.158

文献信息

• Radiation curable Michael addition resins having built-in photoinitiators
  申请人：Ashland Licensing and Intellectual Property LLC

  公开号：US07524565B2

  公开（公告）日：2009-04-28

  The liquid, uncrosslinked, UV-curable Michael addition resins and blends of the present invention exhibit performance properties that make them very effective coating materials and these properties can be modified greatly depending upon composition. Michael donors and acceptors can be constructed from Type I and/or Type II photoinitiators and can be included in the coating compositions disclosed to make UV-curable coatings with extraordinary photoreactivity and properties. Resins can be produced that show excellent adhesion to metals, plastics, wood, paper and glass. They exhibit wide ranges of hardness, toughness, flexibility, tensile strength, stain resistance, scratch resistance, impact resistance, solvent resistance, etc. Almost any desired coating performance parameter can be attained by proper selection of raw material building blocks.

  本发明的液态、未交联的紫外光固化Michael加成树脂和混合物展现出使它们成为非常有效的涂料材料的性能特性，这些性能特性可以根据组成大大改变。Michael供体和受体可以由I型和/或II型光引发剂构建，并可以包含在所披露的涂料组合物中，以制备具有非凡光反应性和性能的紫外光固化涂层。可以生产出对金属、塑料、木材、纸张和玻璃具有优异附着力的树脂。它们展现出广泛的硬度、韧性、柔软性、拉伸强度、耐污性、耐刮擦性、抗冲击性、耐溶剂性等范围。通过适当选择原材料组成部分可以实现几乎任何所需的涂层性能参数。
• CROSSLINKING AGENT, CROSSLINKED POLYMER, AND USES THEREOF
  申请人：Tanaka Shinichi

  公开号：US20100209723A1

  公开（公告）日：2010-08-19

  There is provided a novel crosslinking agent for use in crosslinked polymer fabrication, specifically a crosslinking agent containing at least one compound selected from glyoxylate and a glyoxylic acid ester derivative represented by the following general formula (1): wherein R 1 and R 2 each independently represents an alkyl group having 1 to 10 carbon atoms and R 3 represents a hydrogen atom or an alkyl group having 1 to 10 carbon atoms.

  提供了一种新型交联剂，用于交联聚合物的制备，具体来说，这种交联剂包含至少一种从乙酰乙酸酯和以下通用公式（1）表示的乙酰乙酸酯衍生物中选择的化合物：其中R1和R2各自独立表示具有1至10个碳原子的烷基基团，R3表示氢原子或具有1至10个碳原子的烷基基团。
• Radiation curable michael addition resins having built-in photoinitiators
  申请人：Gould L. Michael

  公开号：US20050261388A1

  公开（公告）日：2005-11-24

  The liquid, uncrosslinked, UV-curable Michael addition resins and blends of the present invention exhibit performance properties that make them very effective coating materials and these properties can be modified greatly depending upon composition. Michael donors and acceptors can be constructed from Type I and/or Type II photoinitiators and can be included in the coating compositions disclosed to make UV-curable coatings with extraordinary photoreactivity and properties. Resins can be produced that show excellent adhesion to metals, plastics, wood, paper and glass. They exhibit wide ranges of hardness, toughness, flexibility, tensile strength, stain resistance, scratch resistance, impact resistance, solvent resistance, etc. Almost any desired coating performance parameter can be attained by proper selection of raw material building blocks.

  本发明的液态、未交联的紫外线可固化的Michael加成树脂和混合物具有表现性能，使它们成为非常有效的涂料材料，这些性能可以根据组成大大改变。Michael供体和受体可以由I型和/或II型光引发剂构建，并可以包含在所披露的涂料组成物中，以制备具有非凡光反应性和性能的紫外线可固化涂层。可以生产出表现出对金属、塑料、木材、纸张和玻璃的优异粘附性的树脂。它们表现出广泛的硬度、韧性、柔韧性、拉伸强度、耐污染性、耐划痕性、抗冲击性、耐溶剂性等性能范围。通过适当选择原材料建筑块，几乎可以达到任何所需的涂层性能参数。
• CROSSLINKING AGENT, CROSSLINKED POLYMER AND THEIR USES
  申请人：The Nippon Synthetic Chemical Industry Co., Ltd.

  公开号：EP2189496A1

  公开（公告）日：2010-05-26

  There is provided a novel crosslinking agent for use in crosslinked polymer fabrication, specifically a crosslinking agent containing at least one compound selected from glyoxylate and a glyoxylic acid ester derivative represented by the following general formula (1): wherein R1 and R2 each independently represents an alkyl group having 1 to 10 carbon atoms and R3 represents hydrogen or an alkyl group having 1 to 10 carbon atoms.

  本发明提供了一种用于交联聚合物制造的新型交联剂，特别是一种含有至少一种选自乙醛酸酯和乙醛酸酯衍生物的化合物的交联剂，其代表通式如下（1）： 其中 R1 和 R2 各自独立地代表具有 1 至 10 个碳原子的烷基，R3 代表氢或具有 1 至 10 个碳原子的烷基。
• Crosslinking agent, crosslinked polymer, and uses thereof
  申请人：The Nippon Synthetic Chemical Industry Co., Ltd.

  公开号：EP2452970A1

  公开（公告）日：2012-05-16

  There is provided a novel crosslinking agent for use in crosslinked polymer fabrication, specifically a crosslinking agent containing at least one compound selected from glyoxylate and a glyoxylic acid ester derivative represented by the following general formula (1): wherein R1 and R2 each independently represents an alkyl group having 1 to 10 carbon atoms and R3 represents hydrogen or an alkyl group having 1 to 10 carbon atoms.

  本发明提供了一种用于交联聚合物制造的新型交联剂，特别是一种含有至少一种选自乙醛酸酯和乙醛酸酯衍生物的化合物的交联剂，其代表通式如下（1）： 其中 R1 和 R2 各自独立地代表具有 1 至 10 个碳原子的烷基，R3 代表氢或具有 1 至 10 个碳原子的烷基。