ethyl 3-oxotridec-12-enoate | 66696-90-0

• 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
• 英文名称: ethyl 3-oxotridec-12-enoate
• 英文别名: Ethyl 3-oxo-12-tridecenoate
• CAS: 66696-90-0
• 化学式: C₁₅H₂₆O₃
• 分子量: 254.37
• InChiKey: QGSCJTGGHBOJMW-UHFFFAOYSA-N

物化性质

• 沸点：
  122-124 °C(Press: 0.4 Torr)
• 密度：
  0.935±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-oxotridec-12-enoate 在 silver(l) oxide 作用下， 以 乙醚 为溶剂， 生成 D-(-)-3-Hydroxy-tridecansaeure-benzylester
  参考文献：
  名称：

  Shemyakin,M.M. et al., Journal of general chemistry of the USSR, 1967, vol. 37, p. 2491 - 2497

  摘要：

  DOI：
• 作为产物：
  描述：

  9-溴-1-壬烯 、 乙酰乙酸乙酯 在 sodium hydride 、 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以41%的产率得到ethyl 3-oxotridec-12-enoate
  参考文献：
  名称：

  自修复超分子嵌段共聚物

  摘要：

  聚合物，治愈自己！由2-脲基-4-嘧啶酮（UPy）末端官能化的聚苯乙烯-b-聚（丙烯酸正丁酯）（PS- b - PBA）AB二嵌段共聚物的二聚反应形成的超分子ABA三嵌段共聚物结合了热塑性弹性体的优越机械性能和超分子材料的动态自修复特性的修复材料。

  DOI：

  10.1002/anie.201204840

文献信息

• Modular Tuning of Electrophilic Reactivity of Iridium Nitrenoids for the Intermolecular Selective α-Amidation of β-Keto Esters
  作者：Minhan Lee、Hoimin Jung、Dongwook Kim、Jung-Woo Park、Sukbok Chang

  DOI：10.1021/jacs.0c04344

  日期：2020.7.15

  herein an Ir-catalyzed intermolecular amino group transfer to β-keto esters (amides) to access α-aminocarbonyl products with excellent chemoselectivity. The key strategy was to engineer electrophilicity of the putative Ir-nitrenoids by tuning electronic property of the κ2-N,O chelating ligands, thus facilitating nucleophilic addition of enol π-bonds of 1,3-dicarbonyl substrates.

  我们在此报告了 Ir 催化的分子间氨基转移到 β-酮酯（酰胺）以获取具有优异化学选择性的 α-氨基羰基产物。关键策略是通过调节 κ2-N,O 螯合配体的电子特性来设计假定的 Ir-nitrenoids 的亲电性，从而促进 1,3-二羰基底物的烯醇 π 键的亲核加成。
• Studies on chemotherapeutics I. Synthesis of 5-substituted-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid derivatives
  作者：MÁRia Balogh、István Hermecz、Zoltán Mészaros、KÁLman Simon、Levente Pusztay、GÁBor Horváth、Peter Dvortsak

  DOI：10.1002/jhet.5570170229

  日期：1980.3

  5-substituted-4-oxo-1,4-dihydro-3-pyridinecarboxylates were synthetized by reacting 1,3,5-triazine with 4-substituted ethyl acetoacetate derivatives in ethanol, in the presence of sodium ethoxide. The l-alkyl-5-substituted-4-oxo-1,4-dihydro-3-pyridinecarboxylic acids required for the antimicrobial studies were prepared by N-alkylation (with triethyl phosphate or alkyl halides) and alkaline hydrolysis

  通过使1,3,5-三嗪与4-取代的乙酰乙酸乙酯衍生物在乙醇钠存在下反应，来合成5-取代的4-氧代-1，4-二氢-3-吡啶甲酸乙酯。通过N-烷基化（用磷酸三乙酯或烷基卤化物）和吡啶酮酯的碱水解制备抗微生物研究所需的1-烷基-5-取代-4-氧代-1，4-二氢-3-吡啶羧酸。
• Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof
  申请人：——

  公开号：US20040115732A1

  公开（公告）日：2004-06-17

  The present invention relates to solid phase or solution phase combinatorial libraries of autoinducer analogs. The present invention also relates to autoinducer agonists and antagonists. In addition, the present invention relates to methods for identifying autoinducer agonists and antagonists, as well as methods for regulating the activity of an autoinducer receptor, regulating biofilm formation, regulating growth or virulence of an organism in a subject, inhibiting the quorum sensing mechanism of an organism, and treating an infection in a subject caused by an organism possessing a quorum sensing mechanism which use the autoinducer analogs of the present invention.

  本发明涉及自感应剂类似物的固相或溶液相组合库。本发明还涉及自感应剂和拮抗剂。此外，本发明还涉及识别自感应剂和拮抗剂的方法，以及调节自感应受体的活性、调节生物膜形成、调节生物体在主体中的生长或毒力、抑制生物体的群体感应机制，并使用本发明的自感应剂类似物治疗由具有群体感应机制的生物体引起的主体感染。
• COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF
  申请人：SUGA Hiroaki

  公开号：US20080027115A1

  公开（公告）日：2008-01-31

  The present invention relates to solid phase or solution phase combinatorial libraries of autoinducer analogs. The present invention also relates to autoinducer agonists and antagonists. In addition, the present invention relates to methods for identifying autoinducer agonists and antagonists, as well as methods for regulating the activity of an autoinducer receptor, regulating biofilm formation, regulating growth or virulence of an organism in a subject, inhibiting the quorum sensing mechanism of an organism, and treating an infection in a subject caused by an organism possessing a quorum sensing mechanism which use the autoinducer analogs of the present invention.

  本发明涉及自感应物类似物的固相或溶液相组合库。本发明还涉及自感应物激动剂和拮抗剂。此外，本发明还涉及识别自感应物激动剂和拮抗剂的方法，以及调节自感应物受体活性、调节生物膜形成、调节在受体中生物体的生长或毒力、抑制生物体的群体感应机制、以及使用本发明的自感应物类似物治疗由具有群体感应机制的生物体引起的受体感染的方法。
• 70. Experiments on the synthesis of carbonyl compounds. Part I. Introduction. The acidolysis of acylmalonic esters
  作者：R. E. Bowman

  DOI：10.1039/jr9500000322

  日期：——