壬基丙二酸二乙酯 | 52180-01-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 壬基丙二酸二乙酯
• 英文名称: diethyl nonylmalonate
• 英文别名: diethyl-2-nonylpropanedioate；diethyl 2-nonylmalonate；diethyl nonyl malonate；nonylmalonic acid diethyl ester；Nonyl-malonsaeure-diaethylester；Diethyl nonylpropanedioate；diethyl 2-nonylpropanedioate
• CAS: 52180-01-5
• 化学式: C₁₆H₃₀O₄
• 分子量: 286.412
• InChiKey: JRPGECJKHZKZMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  20
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090

反应信息

• 作为反应物：
  描述：

  壬基丙二酸二乙酯 在 叔丁基过氧化氢 、 lithium aluminium tetrahydride 、 L-(+)-diisopropyl tartrate 、 titanium(II) diisopropoxide 、 sodium hydride 、 酒石酸 作用下， 反应 32.5h， 生成 (2S)-2-hydroxymethyl-2-nonyloxirane
  参考文献：
  名称：

  Noda, Y.; Kikuchi, M., Synthetic Communications, 1985, vol. 15, # 14, p. 1245 - 1252

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-二碘戊烷 以 四氢呋喃 为溶剂， 生成 壬基丙二酸二乙酯
  参考文献：
  名称：

  Allyl as Protective Group for the Acidic Hydrogen of Malonic Ester

  摘要：

  DOI：

  10.1021/jo9600767

文献信息

• The synthesis and electro-optic properties of liquid crystalline 2-(2,3-difluorobiphenyl-4′-yl)-1,3-dioxanes
  作者：Chu Chuan Dong、Peter Styring、John W. Goodby、Lawrence K. M. Chan

  DOI：10.1039/a902351h

  日期：——

  Fifty-six novel alkyl and/or alkoxy disubstituted 2-(2,3-difluorobiphenyl-4′-yl)-1,3-dioxanes (DFBPD) were prepared. Smectic C and nematic mesophases were exhibited by most of the alkyl-alkoxy homologues. Conversely, most of the dialkyl compounds exhibited smectic C, smectic A and nematic phases. The birefringence (Δn), dielectric anisotropy (Δε), spontaneous polarisation and response times of two ferroelectric mixtures formulated from the dioxanyl systems were determined. The birefringence results were compared with eight other groups of mixtures where the materials were based on different core systems. The overall electro-optic properties of the DFBPDs were found to be comparable to the best of the eight most commonly used materials in ferroelectric display devices.

  制备了 56 种新型烷基和/或烷氧基二取代的 2-(2,3-二氟联苯-4´-基)-1,3-二氧六环 (DFBPD)。大多数烷基-烷氧基同系物展现出近晶 C 和向列相中間相。相反，多数二烷基化合物展现出近晶 C、近晶 A 和向列相。测定了两个由二氧六环体系构成的铁电混合物的双折射 (Δn)、介电各向异性 (Δε)、自发极化和响应时间。双折射结果与基于不同核心体系的 8 组混合物进行了比较。发现 DFBPD 的整体电光性质与最常用的 8 种铁电显示器材料相当。
• Novel Xylene-Linked Maltoside Amphiphiles (XMAs) for Membrane Protein Stabilisation
  作者：Kyung Ho Cho、Yang Du、Nicola J. Scull、Parameswaran Hariharan、Kamil Gotfryd、Claus J. Loland、Lan Guan、Bernadette Byrne、Brian K. Kobilka、Pil Seok Chae

  DOI：10.1002/chem.201501083

  日期：2015.7.6

  aggregation. In this study, a novel class of maltoside‐bearing amphiphiles, with a xylene linker in the central region, designated xylene‐linked maltoside amphiphiles (XMAs) was developed. When these novel agents were evaluated with a number of membrane proteins, it was found that XMA‐4 and XMA‐5 have particularly favourable efficacy with respect to membrane protein stabilisation, indicating that these agents

  膜蛋白是生物系统中的关键功能参与者。这些生物大分子包含亲水性和疏水性区域，因此两亲性分子对于从其天然脂质环境中提取膜蛋白并使它们稳定在水溶液中是必需的。常规去污剂通常用于膜蛋白操作，但是被这些试剂包围的膜蛋白通常会发生变性和聚集。在这项研究中，开发了一种新型的带有麦芽糖苷的两亲物，在中部区域具有二甲苯连接基，称为二甲苯连接的麦芽糖苷两亲物（XMA）。当将这些新型药物与多种膜蛋白一起评估时，发现XMA-4和XMA-5在膜蛋白稳定方面具有特别有利的功效，
• Über Isoxazolidin-3,5-dione
  作者：K. Michel、H. Gerlach-Gerber、Ch. Vogel、M. Matter

  DOI：10.1002/hlca.19650480817

  日期：——

  Es wird die Synthese von Vertretern der bisher unbekannten Isoxazolidin-3,5-dione durch Umsetzung von Hydroxylamin oder N-monosubstituierten Hydroxylaminen mit substituerten Malonsäurechloriden beschrieben. Eine Anzahl der neuen Verbindungen wirken im Tierexperiment antiphlogistisch.

  描述了通过使羟胺或N-单取代的羟胺与取代的丙二酸氯化物反应来合成迄今未知的异恶唑烷-3，5-二酮的代表。许多新化合物在动物实验中具有抗炎作用。
• NOVEL XYLENE-BASED AMPHIPHILIC COMPOUND AND USE THEREOF
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US20180273570A1

  公开（公告）日：2018-09-27

  The present invention relates to a xylene-based amphiphilic compound, a method for preparing the same, and a method for extracting, solubilizing, stabilizing or crystallizing a membrane protein using the same. By using the xylene-based compound according to the present invention, a membrane protein may be stably stored in an aqueous solution for a long time, and may be applied in functional and structural analyses. The structural and functional analysis of the membrane protein is one of the fields of highest interest in biology and chemistry, and the xylene-based compound according to the present invention can be applied in research on protein structure that is closely related to development of a new drug.

  本发明涉及一种基于二甲苯的两性分子化合物，一种制备该化合物的方法，以及一种利用该化合物提取、溶解、稳定或结晶膜蛋白的方法。通过使用本发明的基于二甲苯的化合物，膜蛋白可以稳定地存储在水溶液中长时间，并且可以应用于功能和结构分析。膜蛋白的结构和功能分析是生物学和化学中最感兴趣的领域之一，而根据本发明的基于二甲苯的化合物可应用于与新药开发密切相关的蛋白质结构研究。
• Mesogenic, optical, and dielectric properties of 5-substituted 2-[12-(4-pentyloxyphenyl)-p-carboran-1-yl] [1,3]dioxanes
  作者：Takashi Nagamine、Adam Januszko、Piotr Kaszynski、Kiminori Ohta、Yasuyuki Endo

  DOI：10.1039/b608012j

  日期：——

  Two homologous series of carborane-containing dioxanes 1[n] and 2[n] (n = 1–10) were prepared and their mesogenic properties investigated. All compounds exhibit nematic behavior and three members of series 2[n] show an E phase. Numerical analysis of the clearing temperatures gave a limiting value TNI(∞) of 89 °C for series 2[n] and indicated conformational flexibility of the dioxane ring. Investigations of three-ring derivative 1[4] gave Δn = 0.17, S = 0.53, and Δε = +0.4 ± 0.1 at 85 °C. Extrapolation of dielectric data for dilute solutions of 1[4] in 6-CHBT gave Δε = +0.4 ± 0.25 at 24 °C. Modelling of dielectric results with the Maier–Meier equation demonstrated that conformers with a higher β angle are preferred, which is consistent with conformational selection for the most elongated conformers.

  准备了两个含有碳硼烷的二噁烷同系物系列1[n]和2[n]（n = 1–10），并对它们的介晶性质进行了研究。所有化合物均表现出向列行为，而系列2[n]中的三个成员显示出E相。清晰温度的数值分析给出了系列2[n]的极限值TNI(∞)为89°C，并表明二噁烷环的构象灵活性。对三环衍生物1[4]的研究得到了Δn = 0.17，S = 0.53，以及在85°C时Δε = +0.4 ± 0.1。对1[4]在6-CHBT稀溶液中的介电数据进行外推时，在24°C得到了Δε = +0.4 ± 0.25。利用Maier–Meier方程对介电结果的建模表明，具有更高β角的构象更为偏好，这与对于最细长构象的构象选择一致。