1,3-di(4-n-dodecyloxyphenyl)propane-1,3-dione | 107265-38-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-di(4-n-dodecyloxyphenyl)propane-1,3-dione
• 英文别名: 1,3-Bis(4-dodecoxyphenyl)propane-1,3-dione
• CAS: 107265-38-3
• 化学式: C₃₉H₆₀O₄
• 分子量: 592.903
• InChiKey: OWUMEJCCKUBNAJ-UHFFFAOYSA-N

物化性质

• 熔点：
  94 °C
• 沸点：
  688.7±40.0 °C(Predicted)
• 密度：
  0.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  43
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-di(4-n-dodecyloxyphenyl)propane-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以52%的产率得到3,5-bis(4-(dodecyloxy)phenyl)-1H-pyrazole
  参考文献：
  名称：

  基于介晶3,5-二取代吡唑配体的Rh（I）配合物的化学。3,5-二叔的X射线晶体结构（4- Ñ -butoxyphenyl）吡唑（HPZ BP2）和铑[Rh（μ-PZ R2）（CO）2 ] 2（R = C 6 H ^ 4 OC ñ ħ 2 Ñ +1，n = 10，12）个化合物。第二部分

  摘要：

  四个新的3,5-二取代的吡唑Hpz R2，它们含有长链的4- n-烷氧基苯基取代基[R = C 6 H 4 OC n H 2 n +1 ; n = 4（1），6（2），12（5），14（6）]已经制备并表征。它们均表现出同构行为，中间相的稳定性和范围随吡唑上链的长度而增加。Hpz bp2（1）的X射线结构显示出高度线性的分子形状。推导了剩余的Hpz R2的相关结果并且结构上的结果与观察到的介晶性质一致。介晶基吡唑HPZ R2（1 - 6）被用作向[的RhCl（CO）配体2 ]和[铑（CO）2 ]片段。[的RhCl（CO）2（HPZ R2）]配合物（7 - 12）显示出依赖于长链的吡唑类，以及与在固体状态下不同的分子阵列一些物理性质。在所有情况下，这些化合物进化到的[Rh（μ-PZ R2）（CO）2 ] 2的溶液中。的吡唑特的Rh（I）配合物的[Rh（μ-PZ R2）（CO）2 ]2（13 –

  DOI：

  10.1016/s0022-328x(02)01400-6
• 作为产物：
  描述：

  4-十二烷氧基苯乙酮 以47%的产率得到
  参考文献：
  名称：

  VEBER M.; JALLABERT C.; STRZELECKA H., SYNTH. COMMUN., 17,(1987) N 6, 693-701

  摘要：

  DOI：

文献信息

• Influence of integrated alkyl-chain length on the mesogenic and photophysical properties of platinum-based metallomesogens and their application for polarized white OLEDs
  作者：Yafei Wang、Jiang Fan、Junwei Shi、Hongrui Qi、Etienne Baranoff、Guohua Xie、Qingguo Li、Hua Tan、Yu Liu、Weiguo Zhu

  DOI：10.1016/j.dyepig.2016.05.024

  日期：2016.10

  In this context, a series of platinum complexes containing a triphenylene unit, namely Pt5Pt8, was prepared and characterized. Platinum complex Pt6 shows a clearly column liquid crystalline property, confirmed by differential scanning calorimetry, polarized optical microscopy and X-ray diffraction. These platinum complexes only display monomolecular emission both in solution and in neat film, an effect

  在此背景下，制备并表征了一系列包含亚苯撑单元的铂配合物，即Pt5 Pt8。铂络合物Pt6显示出清晰的柱状液晶性质，通过差示扫描量热法，偏振光学显微镜和X射线衍射确认。这些铂配合物仅在溶液和纯净膜中均显示出单分子发射，这归因于咔唑作为大基团的存在，不利于配合物的聚集。空穴迁移率在10 -5 –10 -6  cm 2  V -1 s -1范围内获得了用于退火的铂络合物膜的薄膜。已经发现，对准发射层的方法对器件的性能具有至关重要的作用。在基于Pt6的器件中实现了偏振比为1.4的偏振磷光白色有机发光二极管（OLED）的第一示例。这项研究开辟了磷光成矿物质在偏振白光发射中应用的新方面。
• Broadband spectra with fluorescence and phosphorescence dual emission from bichromophoric platinum metallomesogens containing a 6,12-dihydro-indeno[1,2-b]fluorene linkage
  作者：Yafei Wang、Jiang Fan、Tianyi Li、Qiong Wang、Junwei Shi、Zuoming Qu、Hua Tan、Yu Liu、Weiguo Zhu

  DOI：10.1039/c6ra03391a

  日期：——

  Two bichromophoric platinum metallomesogens, FJ-1 and FJ-2, exhibited fluorescence (¹π,π*) and phosphorescence (³π,π*) dual emissions in solution. Their photophysical properties were detailedly investigated by experiment and theory calculation.

  两种双光致铂金金属液晶体FJ-1和FJ-2在溶液中表现出荧光（1π,π*）和磷光（3π,π*）双重发射。它们的光物理性质已通过实验和理论计算进行了详细研究。
• Alkoxy-substituted difluoroboron benzoylmethanes for photonics applications: A photophysical and spectroscopic study
  作者：María José Mayoral、Paloma Ovejero、Mercedes Cano、Guillermo Orellana

  DOI：10.1039/c0dt00588f

  日期：——

  Two series of novel boron difluoride adducts (BDFs), namely [BF2(OOR(n))] (type I) and [BF2(OO2R(n))] (type II) (R = C6H4OCnH2n+1; n = 10–18), containing β-diketonate ligands bearing 4-alkoxyphenyl substituents in position 1 or in positions 1,3 of the β-diketonate core, respectively, have been prepared. All of them display a strong interaction between the ligand and the BF2 group, as deduced from the IR spectroscopic data, and strong blue-violet emission (λmaxem from 400 to 440 nm), with fluorescence quantum yields from 0.69 to 0.84 (type I) and 0.48 to 0.66 (type II) and fluorescence lifetimes of 1.7 and 2.2 ns in diluted dichloromethane solution, respectively. The photophysical properties of I and II series of dyes are independent of the solvent polarity and the chain length of the alkoxyphenyl substituent(s). Moreover, they exhibit high photostability even under intense laser light. Contradicting previous interpretations, our detailed photophysical and spectroscopic study rules out excimer formation even in highly concentrated solution or in the solid state, demonstrating the resistance of these dyes to self-aggregation. All those features pave the way to the application of such fluorophores in OLEDs, solid dye lasers, chemical sensors and two-photon biological labels, to name a few.

  本研究制备了两个系列的新型二氟化硼加合物（BDFs），即[ (OOR(n))]（类型 I）和[ (OO2R(n))]（类型 II）（R = C6H4OCnH2n+1; n = 10-18），它们分别含有在β-二酮酸酯核的 1 位或 1,3 位上带有 4-烷氧基苯基取代基的β-二酮酸酯配体。根据红外光谱数据推断，它们都显示出配体与 BF2 基团之间的强烈相互作用，以及强烈的蓝紫色发射（λmaxem 为 400 至 440 nm），在稀释的二氯甲烷溶液中，荧光量子产率分别为 0.69 至 0.84（I 型）和 0.48 至 0.66（II 型），荧光寿命分别为 1.7 和 2.2 ns。I 和 II 系列染料的光物理特性与溶剂极性和烷氧基苯基取代基的链长无关。此外，即使在强烈的激光照射下，它们也表现出很高的光稳定性。与之前的解释不同，我们的详细光物理和光谱研究排除了准分子形成的可能性，即使在高浓度溶液或固态下也是如此，这表明这些染料具有抗自聚集性。所有这些特点都为这种荧光团在有机发光二极管、固体染料激光器、化学传感器和双光子生物标签等领域的应用铺平了道路。
• Veber, M.; Jallabert, C.; Strzeleska, H., Synthetic Communications, 1987, vol. 17, # 6, p. 693 - 702
  作者：Veber, M.、Jallabert, C.、Strzeleska, H.

  DOI：——

  日期：——
• Palladium(II) metallomesogens of crown ether derivatized imines, and their sodium adducts
  作者：Javier Arias、Manuel Bardají、Pablo Espinet

  DOI：10.1016/j.jorganchem.2006.08.091

  日期：2006.11

  A series of imines HLn (1) (n stands for the alkoxy chain length: 4, 6, 8, 10, and 12) has been synthesized by condensation of 4-aminobenzo-15-crown-5 and p-alkoxybenzaldehyde. Orthopalladation afforded the dinuclear derivatives [Pd(mu-OAc)L-n]2 (2) which, by substitution reactions, led to dinuclear and mononuclear derivatives [Pd(mu-CI)L-n](2) (3) and [Pd(beta-diket)L-n] (4) (beta-diket = H25C12OH4C6C(O)-CH-C(O)-C6H4OC12H25). The imine ligands and the acetato bridged complexes are non-mesogenic whilst the chloro-bridged and the diketonato complexes are enantiotropic liquid crystals. They display smectic A mesophases. Complexation with sodium perchlorate afforded the corresponding derivatives [(O2ClO2)NaCrown] (Crown = crown derivatives 1-4 for n = 4). None of the sodium adducts is mesogenic. The acetato bridged complexes consist of a mixture of syn and anti isomers and a dramatic increase in the syn:anti ratio is produced upon complexation of NaClO4 (syn:anti = 4:96 for complexes 2 versus 54:46 for the corresponding [(O2ClO2)NaCrown2]). The crown ether derivatives extract sodium picrate from aqueous solutions and the presence of the palladium centers improves clearly the extraction, [Pd(mu-Cl)L-n](2) being the best and the fastest extractor. A model for the extraction and transport process in these complexes is proposed. (c) 2006 Elsevier B.V. All rights reserved.