2-nonyl-1,3-pentanedione | 1268325-80-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-nonyl-1,3-pentanedione
• 英文别名: 3-nonyl-2,4-pentanedione；3-Nonylpentane-2,4-dione
• CAS: 1268325-80-9
• 化学式: C₁₄H₂₆O₂
• 分子量: 226.359
• InChiKey: QVOCZYUJGPWGAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-nonyl-1,3-pentanedione 在 双氧水 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 24.0h， 以65%的产率得到1,4-dimethyl-7-nonyl-2,3,5,6-tetraoxabicyclo[2.2.1]heptane
  参考文献：
  名称：

  新型过氧化物作为有望的抗癌药物，其抗疟药活性异常下降

  摘要：

  评估了桥接的1,2,4,5-四恶烷，桥接的1,2,4-三氧戊环（恶臭）和三环一过氧化物中的26种过氧化物对恶性疟原虫（3D7）的体外抗疟活性和细胞毒性活性对抗永生化的人正常成纤维细胞（CCD19Lu），肝（LO 2）和肺（BEAS-2B）细胞系以及人肝（HepG2）和肺（A549）癌细胞系。合成的臭氧化物显示出具有对HepG2（IC最高的细胞毒性50 = 0.19-0.59μ米），以及一些这些化合物选择性地靶向于化合物肝癌（选择性指数值的13和14一分别为20和28），在某些情况下，其含量高于紫杉醇，青蒿素和青蒿琥酯的水平。相反一些臭氧化物显示出对的氯喹敏感株3D7仅适度抗疟疾活性恶性疟原虫（IC 50从2.76至24.2μ米; 12b中，IC 50 = 2.76μ米; 13，IC 50 = 20.14μ米; 14，IC 50 = 6.32μ米）。这些结果表明，这些衍生物对癌细胞和疟疾感染

  DOI：

  10.1002/cmdc.201700804
• 作为产物：
  描述：

  乙酰丙酮 在 sodium 作用下， 以 甲苯 、 丁酮 为溶剂， 反应 72.0h， 生成 2-nonyl-1,3-pentanedione
  参考文献：
  名称：

  Liquid crystal polymorphism of boron difluoride β-diketonates

  摘要：

  Boron difluoride 2-alkyl-beta-diketonates possessing liquid crystal polymorphism and luminescence properties were first obtained. Influence of the ligand structure on the liquid crystal properties of the boron difluoride complexes was demonstrated.

  DOI：

  10.1134/s1070363210110150

文献信息

• Atom-Economic Synthesis of Fully Substituted 2-Aminopyrroles via Gold-Catalyzed Formal [3+2] Cycloaddition between Ynamides and Isoxazoles
  作者：Xin-Yu Xiao、Ai-Hua Zhou、Chao Shu、Fei Pan、Ting Li、Long-Wu Ye

  DOI：10.1002/asia.201500447

  日期：2015.9

  concise and flexible synthesis of fully substituted 2‐aminopyrroles via gold‐catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles has been developed. Under mild reaction conditions, various 2‐aminopyrrole derivatives were obtained in good to excellent yields, thus providing an efficient and atom‐economic way for the construction of fully substituted 2‐aminopyrroles.

  已经开发了通过金酰胺和异恶唑之间的金催化的正式[3 + 2]环加成反应，简洁，灵活地合成完全取代的2-氨基吡咯的方法。在温和的反应条件下，获得了各种2-氨基吡咯衍生物，收率好至极好，从而为构建完全取代的2-氨基吡咯提供了一种有效且原子经济的方法。
• Inverse α-Effect as the Ariadne’s Thread on the Way to Tricyclic Aminoperoxides: Avoiding Thermodynamic Traps in the Labyrinth of Possibilities
  作者：Ivan A. Yaremenko、Yulia Yu. Belyakova、Peter S. Radulov、Roman A. Novikov、Michael G. Medvedev、Nikolai V. Krivoshchapov、Alexander A. Korlyukov、Igor V. Alabugin、Alexander O. Terent′ev

  DOI：10.1021/jacs.2c00406

  日期：2022.4.27

  thermodynamic and kinetic control with a variety of mono-, bi-, and tricyclic structures evolving under the conditions of thermodynamic control until they reach a kinetic wall created by the inverse α-effect, that is, the stereoelectronic penalty for the formation of peroxycarbenium ions and related transition states. Under these conditions, the reaction stops before reaching the most thermodynamically

  稳定的三环氨基过氧化物可以通过 β,δ'-三酮、H 2 O 2和 NH 基团源（如氨水或铵盐）的无催化剂三组分缩合选择性组装。这个过程是可扩展的并且可以产生克数量的三环杂环，在一个分子中包含过氧化物、氮和氧循环。令人惊讶的是，尽管有多种替代反应路线，通过过氧化物、半缩醛、单过氧缩醛和过氧半缩醛官能团的平衡，这种复杂的三环分子仍然可以选择性地形成！该反应由 H 2 O 2的“立体电子挫折”引发并将热力学和动力学控制元素与在热力学控制条件下演化的各种单环、双环和三环结构相结合，直到它们达到由逆α效应产生的动力学壁，即立体电子罚分过氧碳鎓离子和相关过渡态的形成。在这些条件下，在三个不同的杂环在无环前体框架上组装和融合的阶段，反应在达到最热力学稳定的产物之前停止。
• PYRANTHRONE TYPE COMPOUND, ORGANIC PHOTORECEPTOR, IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS
  申请人：SHIBATA Toyoko

  公开号：US20080166645A1

  公开（公告）日：2008-07-10

  An organic photoreceptor is described. The photosensitive layer contains a pyranthrone compound represented by Formula 1 which has been subjected to purification processing so as to have a mass reduction ratio D 400/450 between 400° C. and 450° C. of not more than 2.0% in a thermogravimetric analysis; D 400/450 =( G 400 −G 450 )/ G i }×100 wherein G i is a mass at 25° C., and G 400 and G 450 are each mass at 400° C. and 450° C., respectively, wherein R 1 through R 14 are each a hydrogen atom, an alkyl group, an alkoxy group, an aryl group, a halogen atom, a cyano group or a nitro group. The image forming method using the photoreceptor, and the pyranthrone compound are also disclosed.
• METHOD TO PRODUCE ACETYLDIACYLGLYCEROLS (AC-TAGS) BY EXPRESSION OF AN ACETYLTRANSFERASE GENE ISOLATED FROM EUONYMUS ALATUS (BURNING BUSH)
  申请人：Durrett Timothy

  公开号：US20130116462A1

  公开（公告）日：2013-05-09

  The present invention relates to novel diacylglycerol acyltransferase genes and proteins, and methods of their use. In particular, the invention describes genes encoding proteins having diacylglycerol acetyltransferase activity, specifically for transferring an acetyl group to a diacylglycerol substrate to form acetyl-Triacylglycerols (ac-TAGS), for example, a 3-acetyl-1,2-diacyl-sn-glycerol. The present invention encompasses both native and recombinant wild-type forms of the transferase, as well as mutants and variant forms. The present invention also relates to methods of using novel diacylglycerol acyltransferase genes and proteins, including their expression in transgenic organisms at commercially viable levels, for increasing production of 3-acetyl-1,2-diacyl-sn-glycerols in plant oils and altering the composition of oils produced by microorganisms, such as yeast, by increasing ac-TAG production. Additionally, oils produced by methods of the present inventions comprising genes and proteins are contemplated for use as biodiesel fuel, in polymer production and as naturally produced food oils with reduced calories.
• US9328335B2
  申请人：——

  公开号：US9328335B2

  公开（公告）日：2016-05-03