ethyl 6-butoxy-2-naphthoate | 1215343-40-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 6-butoxy-2-naphthoate
• CAS: 1215343-40-0
• 化学式: C₁₇H₂₀O₃
• 分子量: 272.344
• InChiKey: KUIOSEQTSVRCOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 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-butoxy-2-naphthoate 在 sodium hydroxide 、 盐酸 作用下， 以 二甲基亚砜 、 水 为溶剂， 反应 3.0h， 生成 6-butoxy-2-naphthoic acid
  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
• 作为产物：
  描述：

  正溴丁烷 、 6-羟基-2-萘酸乙酯 在 potassium carbonate 作用下， 以 3-戊酮 为溶剂， 生成 ethyl 6-butoxy-2-naphthoate
  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