octadecyl (2E)-3-phenylprop-2-enoate | 61415-12-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: octadecyl (2E)-3-phenylprop-2-enoate
• 英文别名: trans-octadecyl-3-phenylpropenoate；n-octadecyl trans-cinnamate；octadecyl 3-phenylacrylate；octadecyl cinnamate；trans-Zimtsaeure-octadecylester；octadecyl (E)-3-phenylprop-2-enoate
• CAS: 61415-12-1
• 化学式: C₂₇H₄₄O₂
• 分子量: 400.645
• InChiKey: FOMPJQRYRSPXOW-WCWDXBQESA-N

物化性质

• 熔点：
  48-49 °C
• 沸点：
  500.7±19.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  29
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  octadecyl (2E)-3-phenylprop-2-enoate 以 various solvent(s) 为溶剂， 生成 十八碳烯 、 肉桂酸 、 α-Truxillsaeure-octadecylester 、 δ-Truxinsaeure-dioxtadecylester 、 octadecyl 3-phenylprop-2-enoate
  参考文献：
  名称：

  Liquid-crystalline solvents as mechanistic probes. 20. Crystalline and smectic B solvent control over the selectivity of photodimerization of n-alkyl cinnamates

  摘要：

  DOI：

  10.1021/jo00363a025
• 作为产物：
  描述：

  硬脂醇 在 吡啶 、 β-丙氨酸 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 octadecyl (2E)-3-phenylprop-2-enoate
  参考文献：
  名称：

  长链烷基羟基肉桂酸酯的合成及抗氧化活性

  摘要：

  长链烷基羟基肉桂酸酯（8 – 21）是由丙二酸的相应半酯（5 – 7）合成的）与苯甲醛衍生物经Knoevenagel缩合。使用DPPH和ABTS分析评估了这些羟基肉桂酸酯的总抗氧化能力。观察到的抗氧化剂活性最高的是咖啡酸酯，其次是芥子酸酯和阿魏酸酯。这些羟基肉桂酸酯的类药性参数也根据L​​ipinski的“五则规则”进行了评估。发现所有酯衍生物均违反了Lipinski的参数之一（cLogP> 5），即使已发现它们可溶于质子溶剂中。预测的拓扑极性表面积（TPSA）数据可以得出结论，它们可以具有良好的穿透细胞膜的能力。因此，可以提出这些新颖的亲脂性化合物作为用于应对氧化过程的潜在抗氧化剂。

  DOI：

  10.1016/j.ejmech.2010.12.016

文献信息

• Lipophilic NHC assisted one-pot synthesis of syncarpamide analogues in aqueous medium
  作者：Pavithira Suresh、Subramaniapillai Selva Ganesan

  DOI：10.1039/c9nj00134d

  日期：——

  Lipophilic NHC catalysis in aqueous medium was reported for the synthesis of biologically relevant (a)symmetrically substituted and unsymmetrically substituted syncarpamide analogues. All the reported reactions were performed in the absence of any expensive metal salts or additives. A diverse array of syncarpamide analogues was obtained in good yields. Lipophilic NHC catalysis was also extended to

  据报道在水性介质中的亲脂性NHC催化可合成生物学上相关的（a）对称取代和非对称取代的syncarpamide类似物。所有报道的反应均在不存在任何昂贵的金属盐或添加剂的情况下进行。以高收率获得了各种各样的辛卡酰胺类似物。亲脂性NHC催化也扩展到化学选择性酯交换反应。
• Synthesis and DNA Polymerase .ALPHA. and .BETA. Inhibitory Activity of Alkyl p-Coumarates and Related Compounds
  作者：Katsumi Nishimura、Yukiko Takenaka、Manami Kishi、Takao Tanahashi、Hiromi Yoshida、Chiaki Okuda、Yoshiyuki Mizushina

  DOI：10.1248/cpb.57.476

  日期：——

  trans- and cis-Icosyl, docosyl, and tetracosyl p-coumarates, constituents of Artemisia annua L., and their structurally-related compounds were synthesized and evaluated for inhibitory activity on DNA polymerases alpha and beta. Among 30 compounds synthesized, octadecyl trans- and cis-p-coumarates and octadecyl p-hydroxyphenylpropiolate showed strong inhibitory activity on DNA polymerases alpha and

  合成了Artemisia annua L.的组成部分的反式和顺式-二十烷基，二十二烷基和十四烷基对-香豆酸酯及其结构相关的化合物，并评估了它们对DNA聚合酶α和β的抑制活性。在合成的30种化合物中，十八烷基反式和顺式对-香豆酸酯和十八烷基对羟基苯丙酸酯显示出对DNA聚合酶α和β的强抑制活性。
• ALL-SOLID SECONDARY BATTERY, SOLID ELECTROLYTE COMPOSITION AND ELECTRODE SHEET FOR BATTERY USED THEREIN, AND METHODS OF MANUFACTURING ELECTRODE SHEET FOR BATTERY AND ALL-SOLID SECONDARY BATTERY
  申请人：Fujifilm Corporation

  公开号：EP3258530A1

  公开（公告）日：2017-12-20

  Provided are an all solid state secondary battery having a positive electrode active material layer, an inorganic solid electrolyte layer, and a negative electrode active material layer in this order, in which at least one layer of the positive electrode active material layer, the inorganic solid electrolyte layer, or the negative electrode active material layer includes an electrolytic polymerizable compound and an inorganic solid electrolyte, in which the electrolytic polymerizable compound is an electrolytic polymerizable compound having a molecular weight of less than 1,000 which is represented by any one of Formulae (1) to (5) below, and the inorganic solid electrolyte contains a metal belonging to Group I or II of the periodic table and has an ion conductivity of the metal being contained, an electrode sheet for a battery, and method for manufacturing an electrode sheet for a battery and an all solid state secondary battery. Reference signs each independently represent a specific atom, substituent, or linking group.

  本发明提供了一种全固态二次电池，该电池依次具有正极活性材料层、无机固体电解质层和负极活性材料层，其中正极活性材料层、无机固体电解质层或负极活性材料层中至少有一层包括电解可聚合化合物和无机固体电解质、其中，电解可聚合化合物是分子量小于 1,000 的电解可聚合化合物，由下式（1）至（5）中的任一个表示，无机固体电解质含有属于元素周期表第 I 组或第 II 组的金属，并具有所含金属的离子电导率，电池电极片，以及电池电极片和全固态二次电池的制造方法。 参考符号各自独立地代表一个特定的原子、取代基或连接基团。
• All solid state secondary battery, solid electrolyte composition used therefor, electrode sheet for battery, and method for manufacturing electrode sheet for battery and all solid state secondary battery
  申请人：FUJIFILM Corporation

  公开号：US10411292B2

  公开（公告）日：2019-09-10

  Provided are an all solid state secondary battery having a positive electrode active material layer, an inorganic solid electrolyte layer, and a negative electrode active material layer in this order, in which at least one layer of the positive electrode active material layer, the inorganic solid electrolyte layer, or the negative electrode active material layer includes an electrolytic polymerizable compound and an inorganic solid electrolyte, in which the electrolytic polymerizable compound is an electrolytic polymerizable compound having a molecular weight of less than 1,000 which is represented by any one of Formulae (1) to (5) below, and the inorganic solid electrolyte contains a metal belonging to Group I or II of the periodic table and has an ion conductivity of the metal being contained, an electrode sheet for a battery, and method for manufacturing an electrode sheet for a battery and an all solid state secondary battery. Reference signals each independently represent a specific atom, substituent, or linking group.

  本发明提供了一种全固态二次电池，该电池依次具有正极活性材料层、无机固体电解质层和负极活性材料层，其中正极活性材料层、无机固体电解质层或负极活性材料层中至少有一层包括电解可聚合化合物和无机固体电解质、其中，电解可聚合化合物是分子量小于 1,000 的电解可聚合化合物，由下式（1）至（5）中的任一个表示，无机固体电解质含有属于元素周期表第 I 组或第 II 组的金属，并具有所含金属的离子电导率，电池电极片，以及电池电极片和全固态二次电池的制造方法。 参考信号各自独立地代表一个特定的原子、取代基或连接基团。
• Nucleophilic Acyl Substitutions of Esters with Protic Nucleophiles Mediated by Amphoteric, Oxotitanium, and Vanadyl Species
  作者：Chien-Tien Chen、Jen-Huang Kuo、Cheng-Hsiu Ku、Shiue-Shien Weng、Cheng-Yuan Liu

  DOI：10.1021/jo0484878

  日期：2005.2.1

  [GRAPHICS]A diverse array of oxometallic species were examined as catalysts in nucleophilic acyl substitution (NAS) reactions of methyl (or ethyl) esters with protic nucleophiles. Among them, oxotitanium acetylacetonate (TiO(acac)(2)) and vanadyl chloride (VOCl2-(THF)(x)) served as the most efficient and water-tolerant catalysts. Transesterifications of methyl and/or ethyl esters with functionalized (including acid- or base-sensitive) 1degrees and 2degrees alcohols can be carried out chemoselectively in refluxed toluene or xylene in a 1:1 substrate stoichiometry using 1 mol % catalyst loading. The resultant products were furnished in 85-100% yields by simple aqueous workup to remove water-soluble catalysts. The new NAS protocol is also amenable to amines and thiols in 74-91% yields, albeit with higher loading (2.5 equiv) of protic nucleophiles. Representative examples of commercial interests such as Padimate 0 and antioxidant additives for plastics were also examined to demonstrate their practical applications. A 1:1 adduct between TiO(acac)2 and a given 1-octadecanol was identified as (C18H37O)(2)Ti(acac)(2) and was responsible for its subsequent NAS of methyl esters.