1,3-dihexadecyloxybenzene | 75768-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,3-dihexadecyloxybenzene
• 英文别名: 1,3-bis-hexadecyloxy-benzene；1,3-Bis-hexadecyloxy-benzol；Di-O-hexadecyl-resorcin；1.3-Dihexadecyloxy-benzol；1,3-Dihexadecoxybenzene
• CAS: 75768-18-2
• 化学式: C₃₈H₇₀O₂
• 分子量: 558.973
• InChiKey: PYVQVXAHRXYYFC-UHFFFAOYSA-N

物化性质

• 熔点：
  71 °C
• 沸点：
  621.8±28.0 °C(predicted)
• 密度：
  0.883±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  40
• 可旋转键数：
  32
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-dihexadecyloxybenzene 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 N-碘代丁二酰亚胺 、 copper(l) iodide 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 160.0h， 生成
  参考文献：
  名称：

  用于爆炸物检测的柔性菲纳米管

  摘要：

  采用模块化自下而上方法合成具有亚芳基-乙炔基-丁二炔基边缘和菲壁的菲纳米管。其中一个边缘带有十六烷氧基侧链，调节与高度定向热解石墨的亲和力。分子动力学模拟表明，纳米管比其结构式所暗示的要灵活得多：在1 2中，菲单元充当铰链，将两个大环相对于彼此翻转到两个可能位点之一，如量子力学模型所示和扫描隧道显微镜研究证明。出乎意料的是，理论和实验均表明1 3三个菲铰链从直立位置偏转，同时两个大环化合物从其理想化的坚固大孔几何形状发生变形。这种灵活性加上它们对富碳基底的亲和力，可以在固/气界面上产生有效的主客体化学反应，从而为基于单壁碳纳米管的传感应用开辟了潜力，并适用于构建用于检测的新型传感器显示了通过硝基芳族标记的 2,4,6-三硝基甲苯。

  DOI：

  10.1021/jacs.3c08131
• 作为产物：
  描述：

  溴代十六烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下， 生成 1,3-dihexadecyloxybenzene
  参考文献：
  名称：

  373.高级烷基酚醚的磺酸盐

  摘要：

  DOI：

  10.1039/jr9390001828

文献信息

• Discotic liquid crystals of transition metal complexes 45: parity effect of the number of d-electrons on stacking distances in the columnar mesophases of octakis-(m-alkoxyphenoxy)phthalocyaninato metal(II) complexes
  作者：Hiroyuki Sato、Kensaku Igarashi、Yoshitaka Yama、Masahiro Ichihara、Eiji Itoh、Kazuchika Ohta

  DOI：10.1142/s1088424612501131

  日期：2012.10

  We have synthesized 34 novel homologous discotic liquid crystals, octakis(m-alkoxyphenoxy)phthalocyaninato metal(II) abbreviated as (m- C_nOPhO)₈PcM (M = Co(1), Ni(2), Cu(3), Zn(4) and H₂ (5); n = 8(a), 10(b), 12(c), 14(d), 16(e), 18(f) and 20(g))}, and investigated parity effect of the number of d-electrons on the stacking distances in their columnar mesophases. It was revealed from temperature-dependent wide angle X-ray diffraction studies that each of the cobalt(II) (d⁷) complexes (1a–1g) and the copper(II) (d⁹) complexes (3b–3g) showed a single hexagonal ordered columnar (Col_ho) mesophase with a very short stacking distance at 3.3 Å, and that the nickel(II) (d⁸) complexes (2a–2g) and the metal-free (d⁰) derivatives (5a–5g) showed a single pseudo-hexagonal ordered columnar (Col_rho) mesophase with a little bit longer stacking distances at 3.4 Å. Very interestingly, the nickel complex (2a) and metal-free derivatives (5a–5c) gave an extremely big (001) reflection peak with the second (002) reflection peak. Furthermore, the zinc(II) (d¹⁰) complexes (4a–4g) showed two different rectangular ordered columnar mesophases, Col_ro(P2/m) and Col_ro(P2₁/a), with a little bit longer stacking distance at 3.4 Å. Thus, the shorter stacking distance, 3.3 Å, appeared for the odd number of d-electrons, whereas the longer stacking distance, 3.4 Å, appeared for the even number of d-electrons. Hence, the stacking distances depend on parity of the number of d-electrons in the central metal(II). To our best knowledge, it is the first example of parity effect on the stacking distances in columnar mesophases.

  我们合成了 34 种新型同源盘状液晶--八烷基(间烷氧基苯氧基)酞菁金属(II)缩写为 (m- CnOPhO)8PcM (M = Co(1), Ni(2), Cu(3), Zn(4) 和 H2(5)；n = 8(a)、10(b)、12(c)、14(d)、16(e)、18(f) 和 20(g)）}，并研究了它们的柱状介相中 d 电子数对堆叠距离的奇偶效应。随温度变化的广角 X 射线衍射研究表明，钴（II）（d7）配合物（1a-1g）和铜（II）（d9）配合物（3b-3g）都呈现出单一的六方有序柱状（Colho）介相，堆积距离非常短，仅为 3.有趣的是，镍（II）（d8）配合物（2a-2g）和无金属（d0）衍生物（5a-5g）显示出单一的假六方有序柱状（Colrho）介相，堆积距离稍长，为 3.4 Å。此外，锌（II）（d10）配合物（4a-4g）呈现出两种不同的矩形有序柱状介相，分别为 Colro(P2/m) 和 Colro(P21/a)，堆积距离稍长，为 3.4 Å。因此，堆叠距离取决于中心金属（II）中 d 电子数的奇偶性。据我们所知，这是柱状介相中奇偶性影响堆叠距离的第一个实例。
• Analogs of platelet activating factor. 6. Mono- and bis-aryl phosphate antagonists of platelet activating factor
  作者：A. Wissner、M. L. Carroll、K. E. Green、S. S. Kerwar、W. C. Pickett、R. E. Schaub、L. W. Torley、S. Wrenn、C. A. Kohler

  DOI：10.1021/jm00087a023

  日期：1992.5

  A series of aryl phosphoglyceride (3, 19-6 1) and bis-aryl phosphate (67-135) antagonists of platelet activating factor (PAF) were prepared. A group of four bifunctional phosphorus reagents (5a-c and 7) were developed that allowed the preparation of these aryl phosphates in which the position of aromatic substitution can be varied. These compounds were examined for their ability to inhibit PAF-induced platelet aggregation of rabbit platelets. Selected compounds were also evaluated for their ability to displace [H-3]PAF from its receptor on rabbit platelets. These in vitro data were compared to similar data obtained for a number of known PAF antagonists. The compounds were evaluated in vivo, in both the mouse and rabbit, for their ability to prevent death induced by a lethal challenge of PAF. The relationships between the biological activity and the nature, lipophilicity, and position of substituents of the aromatic rings were studied. Compound 105 (CL 184005) has been selected to undergo further development as a potential therapeutic agent for the treatment of septic shock in man.
• Nodzu et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 872
  作者：Nodzu et al.

  DOI：——

  日期：——
• One-step synthesis of 1,4-benzodioxanes by reaction of 1,2-cyclohexanedione with vicinal diols promoted by dichlorobis(benzonitrile)palladium(II)
  作者：Enrico Mincione、Antonio Sirna、Daniele Covini

  DOI：10.1021/jo00318a031

  日期：1981.2
• Oka, 1951, vol. 25, p. 73
  作者：Oka

  DOI：——

  日期：——