1-癸基-4-乙炔基苯 | 126708-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-癸基-4-乙炔基苯
• 英文名称: 1-decyl-4-ethynylbenzene
• 英文别名: 4-decyl-1-ethynylbenzene；1-ethynyl-4-decylbenzene；4-dodecylphenylacetylene；p-n-decylphenylacetylen
• CAS: 126708-45-0
• 化学式: C₁₈H₂₆
• 分子量: 242.404
• InChiKey: RQFBYVBEAMKEKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-癸基-4-乙炔基苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.75h， 生成 2,6-dibromo-4,8-bis(4-decylphenylethynyl)benzo-[1,2-b:4,5-b']dithiophene
  参考文献：
  名称：

  Synthesis and Electronic Properties of Semiconducting Polymers Containing Benzodithiophene with Alkyl Phenylethynyl Substituents

  摘要：

  Semiconducting polymers containing benzodithiophene with decyl phenylethynyl and hexadecyl phenylethynyl substituents have been synthesized by Sidle coupling polymerization. The optoelectronic properties of the synthesized polymers have been investigated. The synthesized polymers were tested in bulk heterojunction solar cells.

  DOI：

  10.1021/ma101709h
• 作为产物：
  描述：

  正癸酸 在 钯 氢氧化钾 、 copper(l) iodide 、 三氯化铝 、 草酰氯 、 三乙胺 、 肼 作用下， 以 甲苯 为溶剂， 生成 1-癸基-4-乙炔基苯
  参考文献：
  名称：

  Room-Temperature Discotic Nematic Liquid Crystals

  摘要：

  The use of discotic nematic liquid crystals instead of calamitic nematic liquid crystals to improve the viewing angle of a liquid crystal display device has recently been reported. Compared to the large number of calamitic molecules showing nematic phase at room temperature, the number of disk-shaped molecules showing subambient discotic nematic phase N-D are rare. In this paper we present the design, synthesis, mesomorphic behaviour and structure-property relationship of discotic nematic liquid crystals based on benzene multiyne core.

  DOI：

  10.1080/15421400390213573

文献信息

• Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection
  作者：Rosalina Wisastra、Petra A.M. Kok、Nikolaos Eleftheriadis、Matthew P. Baumgartner、Carlos J. Camacho、Hidde J. Haisma、Frank J. Dekker

  DOI：10.1016/j.bmc.2013.10.015

  日期：2013.12

  human 5-LOX. This compound showed both non-competitive activation towards the human 5-LOX activator adenosine triphosphate (ATP) and non-essential mixed type activation against the substrate linoleic acid, while having no effect on the conversion of the substrate arachidonic acid. The kinetic analysis demonstrated a non-essential activation of the linoleic acid conversion with a KA of 8.65 μM, αKA of

  脂肪氧化酶 (LOX) 和环氧合酶 (COX) 将多不饱和脂肪酸代谢为炎症信号分子。调节这些酶的活性可能为治疗炎性疾病提供新方法。在这项研究中，我们筛选了新型漆树酸衍生物作为人类 5-LOX 和 COX-2 活性的调节剂。有趣的是，一种新型的水杨酸衍生物23a被鉴定为人 5-LOX 的一种令人惊讶的有效激活剂。该化合物显示出对人 5-LOX 激活剂三磷酸腺苷 (ATP) 的非竞争性激活和对底物亚油酸的非必需混合型激活，同时对底物花生四烯酸的转化没有影响。动力学分析证明了亚油酸转化的非必要激活，其K A为 8.65 μM，αK A为 0.38 μM，β值为 1.76。同样有趣的是，一个可比较的导数23d显示出对亚油酸转化的混合型抑制作用。这些观察结果表明人 5-LOX 中存在不同于 ATP 结合位点的变构结合位点。与花生四烯酸相比，23a和23d对亚油酸转化的激活和抑制行为通过对接研究合理化
• Synthesis, mesomorphic properties and nonlinear optical studies of alkyl and alkoxy phenylacetylene containing phenazine fused extended triphenylene discotic liquid crystalline dyes
  作者：Ashwathanarayana Gowda、Litwin Jacob、Alakananda Patra、Agnes George、Reji Philip、Sandeep Kumar

  DOI：10.1016/j.dyepig.2018.07.052

  日期：2019.1

  properties. They show a broad range of hexagonal columnar phase and retain their mesophase up to room temperature upon cooling from the isotropic liquid. Thermotropic liquid crystalline properties of all the compounds were studied by polarised optical microscopy (POM), differential scanning calorimetry (DSC). The self-assembly of mesophase structure was investigated by X-ray diffraction (XRD) studies. Thermogravimetric

  在本文中，我们报道了通过三亚苯基1,2-二醌与1,2-二氨基-4,5-二溴苯的缩合反应获得的含吩嗪稠合的亚苯基盘状液晶（DLC）的烷基和烷氧基苯基乙炔。 Sonogashira CC与4-烷基-苯基乙炔或4-烷氧基-苯基乙炔的偶联反应。合成了六种新型衍生物，并对其热和光学性质进行了评估。它们显示出广泛的六方柱状相，并在从各向同性液体冷却后将其中间相保持到室温。通过偏振光学显微镜（POM），差示扫描量热法（DSC）研究了所有化合物的热致液晶性质。通过X射线衍射（XRD）研究了中间相结构的自组装。所有介晶的热重分析表明，它在很宽的温度范围内都具有良好的热稳定性。在无水氯仿溶剂中使用UV-Vis吸收和光致发光发射光谱法测量了新合成化合物的光物理性质。这些介晶中的π扩展共轭表现出强吸收带，分别在270-487 nm左右下降，并在657-663 nm处具有相应的发射带。当在532 nm的纳秒激光脉冲
• Synthesis of diphenyl-diacetylene-based nematic liquid crystals and their high birefringence properties
  作者：Yuki Arakawa、Shunpei Nakajima、Ryohei Ishige、Makoto Uchimura、Sungmin Kang、Gen-ichi Konishi、Junji Watanabe

  DOI：10.1039/c2jm16002a

  日期：——

  We synthesized two series of diphenyl-diacetylene (DPDA)-based materials with alkoxy and alkyl tails of length m (DPDA–OCm and DPDA–Cm, respectively), and measured their nematic-phase birefringence (Δn) as a function of wavelength and temperature. We found that Δn decreases with an increase in m, possibly by a dilution effect of the low-Δn alkyl tail. Further, of the two series, Δn was found to be relatively higher in the DPDA–OCm materials, with the highest value of 0.4 obtained for DPDA–OC1 at 550 nm at 10 °C below the isotropic-to-nematic transition temperature. Further, we observed the temperature dependence for Δn, which is proportional to the order parameter (s). From extrapolation to s = 1 (the perfect orientation state), it is speculated that the DPDA–O moiety has the potential to afford a very large Δn of 0.9.

  我们合成了两系列基于二苯二炔（DPDA）的材料，分别为具有不同长度的烷氧基和烷基尾（DPDA–OCm和DPDA–Cm），并测量它们在不同波长和温度下的向列相双折射率（Δn）。我们发现，随着m的增加，Δn呈下降趋势，这可能是由于低Δn烷基尾的稀释效应。此外，在两组材料中，DPDA–OCm材料的Δn相对较高，在接近各向同性到向列相转变温度的10°C时，DPDA–OC1在550 nm处的Δn达到了最高值0.4。此外，我们观察到了Δn的温度依赖性，它与有序参数（s）成正比。从对s = 1（完美取向状态）的外推来看，可以推测DPDA–O基团具有提供非常大的Δn（0.9）的潜力。
• Solution Processable Symmetric 4-Alkylethynylbenzene End-Capped Anthracene Derivatives
  作者：Sang-Hun Jang、Hyun-Jin Kim、Min-Ji Hwang、Eun-Bin Jeong、Hui-Jun Yun、Dong-Hoon Lee、Yun-Hi Kim、Chan-Eon Park、Yong-Jin Yoon、Soon-Ki Kwon、Sang-Gyeong Lee

  DOI：10.5012/bkcs.2012.33.2.541

  日期：2012.2.20

  New candidates composed of anthracene and 4-alkylethynylbenzene end-capped oligomers for OTFTs were synthesized under Sonogashira coupling reaction conditions. All oligomers were characterized by FT-IR, mass, UV-visible, and PL emission spectrum analyses, cyclic voltammetry (CV), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), $^1H$-NMR, and $^13}C$-NMR. Investigation of their physical properties showed that the oligomers had high oxidation potential and thermal stability. Thin films of DHPEAnt and DDPEAnt were characterized by spin coating them onto Si/$SiO_2$ to fabricate top-contact OTFTs. The devices prepared using DHPEAnt and DDPEAnt showed hole field-effect mobilities of $4.0\times}10^-3}cm^2$/Vs and $2.0\times}10^-3}cm^2$/Vs, respectively, for solution-processed OTFTs.

  在 Sonogashira 偶联反应条件下合成了由蒽和 4-烷基乙炔基苯端帽低聚物组成的新的 OTFT 候选材料。通过傅立叶变换红外光谱、质量、紫外可见光和聚光发射光谱分析、循环伏安法（CV）、差示扫描量热法（DSC）、热重分析（TGA）、$^1H$-NMR 和 $^13}C$-NMR，对所有低聚物进行了表征。对其物理性质的研究表明，这些低聚物具有较高的氧化电位和热稳定性。通过在硅/$SiO_2$上旋涂 DHPEAnt 和 DDPEAnt 薄膜，制备了顶接触 OTFT。使用DHPEAnt和DDPEAnt制备的器件显示，溶液加工的OTFT的空穴场效应迁移率分别为$4.0\times}10^-3}cm^^2$/Vs和$2.0\times}10^-3}cm^^2$/Vs。
• 4-Substituted and 4,5-Disubstituted 3,6-Di(2-pyridyl)pyridazines: Ligands for Supramolecular Assemblies
  作者：Edwin C. Constable、Catherine E. Housecroft、Markus Neuburger、Sébastien Reymann、Silvia Schaffner

  DOI：10.1002/ejoc.200701114

  日期：2008.3

  The syntheses by inverse electron demand Diels-Alder reactions and characterization of 28 members of a family of 3,6-di(2-pyridyl)pyridazines, functionalized in the 4- or 4,5-positions are reported. Single crystal structural data are presented for four representative derivatives.

  报告了通过逆电子需求 Diels-Alder 反应合成的 3,6-二（2-吡啶基）哒嗪家族的 28 个成员，在 4-或 4,5-位功能化。提供了四种代表性衍生物的单晶结构数据。