ethyl 6-(octyloxy)-2-naphthoate | 1215343-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 6-(octyloxy)-2-naphthoate
• CAS: 1215343-44-4
• 化学式: C₂₁H₂₈O₃
• 分子量: 328.452
• InChiKey: YHPFFGMFHLJJGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  24.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 6-(octyloxy)-2-naphthoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.25h， 以82.6%的产率得到(6-(octyloxy)naphthalen-2-yl)methanol
  参考文献：
  名称：

  咪唑类萘杂配物在不同仿生水界面中的实验和量子化学计算

  摘要：

  溶剂极性和胶束头基对新设计的咪唑类离子液体与萘与1,2-二甲基-3-（（6-（辛氧基氧基）萘-2-基）甲基）-1 H共轭的影响使用稳态和时间分辨荧光技术研究了咪唑-3-氯化铵（IN-O8-Cl）。我们观察到，处于激发态的偶极矩明显高于基态。研究了胶束表面电荷对室温水相中IN-O8-Cl光物理性质的影响。十二烷基硫酸钠（SDS）中形成了胶束前聚集体。此外，使用稳态荧光光谱法检查了IN-O8-Cl的微环境。发现SDS的胶束环境的微极性低于十六烷基三甲基溴化铵（CTAB）和triton X-100（TX100）的微极性，其顺序为SDS

  DOI：

  10.1021/acs.jpca.6b05864
• 作为产物：
  描述：

  2-羟基-6-萘甲酸 在 硫酸 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.25h， 生成 ethyl 6-(octyloxy)-2-naphthoate
  参考文献：
  名称：

  咪唑类萘杂配物在不同仿生水界面中的实验和量子化学计算

  摘要：

  溶剂极性和胶束头基对新设计的咪唑类离子液体与萘与1,2-二甲基-3-（（6-（辛氧基氧基）萘-2-基）甲基）-1 H共轭的影响使用稳态和时间分辨荧光技术研究了咪唑-3-氯化铵（IN-O8-Cl）。我们观察到，处于激发态的偶极矩明显高于基态。研究了胶束表面电荷对室温水相中IN-O8-Cl光物理性质的影响。十二烷基硫酸钠（SDS）中形成了胶束前聚集体。此外，使用稳态荧光光谱法检查了IN-O8-Cl的微环境。发现SDS的胶束环境的微极性低于十六烷基三甲基溴化铵（CTAB）和triton X-100（TX100）的微极性，其顺序为SDS

  DOI：

  10.1021/acs.jpca.6b05864

文献信息

• Unsymmetric 1,3,4-oxa(thia)diazoles of quinoxaline–naphthalene conjugates
  作者：Kuan-Ting Lin、Hsiu-Ming Kuo、Hwo-Shuenn Sheu、Chung K. Lai

  DOI：10.1016/j.tet.2013.08.031

  日期：2013.10

  Two new series of unsymmetric 1,3,4-oxa(thia)diazoles 1a,b containing both quinoxaline and naphthalene moieties were prepared and their mesomorphic properties were investigated. The mesomorphic behavior of compounds 1a,b and 2 was studied by DSC analysis and polarized optical microscopy. All compounds 1a and 2 exhibited hexagonal columnar phases (Col(h)), which were also confirmed by powder XRD diffractometer. N-cell and R-ar values equal to 5.23 and 22.73 angstrom(2) within a slice of 9.0 A thick were also obtained for 1a (n=16), indicating that a more disc-like structure constructed by two molecules lying side-by-side was correlated in Colh phases. In contrast, all compounds 1b were not mesogenic, and the lack of mesomorphic properties in 1b might be due to their unfavorable conformations. The PL spectra of all compounds 1a,b showed one intense peak at lambda(max)=509-512 nm, and these photoluminescent emissions originated from quinoxaline moiety. (C) 2013 Elsevier Ltd. All rights reserved.
• Synthesis and Physico-Chemical Properties of Polar Liquid Crystal Materials Incorporating a Coumarin Skeleton at the Terminal Position
  作者：Yuki Morita、Hiroyuki Ushijima、Kyohei Era、Kazuo Kasatani、Hiroaki Okamoto

  DOI：10.1080/15421400802430000

  日期：2008.12.2

  This paper described the synthesis and physico-chemical properties of homologous series of 2-oxo-2H-chromen-6-yl 6-alkoxy-naphthalene-2-carboxylate (compounds 1-n). Compounds 1-n show a monotropic nematic (N) phase, where the average of the N-isotropic (1) phase transition temperatures is ca. 140 degrees C. The mesomorphic properties were also examined by binary phase diagrams for the mixture of 1-n (n = 4 or 8) and 4-(cyano-4'-octyloxybiphenyl (8 OCB), or 4-heptyloxyphenyl 4-nonyloxybenzoate. The physico-chemical properties for compounds 1-n are compared with the corresponding 4-alkoxybenzoate derivatives (compounds 2-n) and 4-alkoxybiphenyl-4'-carboxylate ones (compounds 3-n). These results are discussed in terms of molecular structures and the electrostatic natures of the molecules.