(2-Oxochromen-6-yl) 6-octoxynaphthalene-2-carboxylate | 1215343-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2-Oxochromen-6-yl) 6-octoxynaphthalene-2-carboxylate
• 英文别名: (2-oxochromen-6-yl) 6-octoxynaphthalene-2-carboxylate
• CAS: 1215343-38-6
• 化学式: C₂₈H₂₈O₅
• 分子量: 444.527
• InChiKey: CGQWCQRIDWPQQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-羟基香豆素 、 6-octyloxy-2-naphthoyl chloride 在 吡啶 作用下， 以 甲苯 为溶剂， 生成 (2-Oxochromen-6-yl) 6-octoxynaphthalene-2-carboxylate
  参考文献：
  名称：

  Synthesis and Physico-Chemical Properties of Polar Liquid Crystal Materials Incorporating a Coumarin Skeleton at the Terminal Position

  摘要：

  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.

  DOI：

  10.1080/15421400802430000

文献信息

• 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.