4-Heptan-3-yloxyaniline | 946760-77-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Heptan-3-yloxyaniline
• CAS: 946760-77-6
• 化学式: C₁₃H₂₁NO
• mdl: MFCD13271366
• 分子量: 207.316
• InChiKey: HFVOVQOCKWSHPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Heptan-3-yloxyaniline 、 3-(4-甲酰基苯基)丙-2-烯酸 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  New Mesogenic Compounds Exhibiting a Thermotropic Optically Isotropic Phase

  摘要：

  The only two series of carboxylic acids, 3-nitro- or 3-cyano-4-alkoxybiphenyl-4-carboxylic acid, are known to exhibit the optically isotropic phase (SID). Now we synthesised 4-(branched alkoxy)-anilinebenzylidene-4'-carboxylic acid series, all being racemic, and investigated their mesophase properties by means of DSC, optical microscopy and X-ray measurement. A, a result, some branched azomethine derivatives were found to form a SD phase. We also synthesised cinnamic acid derivatives with branched alkoxy tail that were turned out to exhibit either SD phase or hexagonal columnar phase. We tried biphenyl or azobenzene core analogues which were found to produce a highly ordered smectic phase or no mesophase, respectively. At this stage, we suppose it plays an important role that the branch is introduced into the terminal chain and a certain dipole moment is located within the mesogenic core. These factors may allow the peculiar molecular packing that causes an optically isotropic property.

  DOI：

  10.1080/10587250108025056
• 作为产物：
  描述：

  3-溴庚烷 在 盐酸 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 4-Heptan-3-yloxyaniline
  参考文献：
  名称：

  New Mesogenic Compounds Exhibiting a Thermotropic Optically Isotropic Phase

  摘要：

  The only two series of carboxylic acids, 3-nitro- or 3-cyano-4-alkoxybiphenyl-4-carboxylic acid, are known to exhibit the optically isotropic phase (SID). Now we synthesised 4-(branched alkoxy)-anilinebenzylidene-4'-carboxylic acid series, all being racemic, and investigated their mesophase properties by means of DSC, optical microscopy and X-ray measurement. A, a result, some branched azomethine derivatives were found to form a SD phase. We also synthesised cinnamic acid derivatives with branched alkoxy tail that were turned out to exhibit either SD phase or hexagonal columnar phase. We tried biphenyl or azobenzene core analogues which were found to produce a highly ordered smectic phase or no mesophase, respectively. At this stage, we suppose it plays an important role that the branch is introduced into the terminal chain and a certain dipole moment is located within the mesogenic core. These factors may allow the peculiar molecular packing that causes an optically isotropic property.

  DOI：

  10.1080/10587250108025056

文献信息

• New Mesogenic Compounds Exhibiting a Thermotropic Optically Isotropic Phase
  作者：T. Niori、J. Yamamoto、H. Yokoyama

  DOI：10.1080/10587250108025056

  日期：2001.8

  The only two series of carboxylic acids, 3-nitro- or 3-cyano-4-alkoxybiphenyl-4-carboxylic acid, are known to exhibit the optically isotropic phase (SID). Now we synthesised 4-(branched alkoxy)-anilinebenzylidene-4'-carboxylic acid series, all being racemic, and investigated their mesophase properties by means of DSC, optical microscopy and X-ray measurement. A, a result, some branched azomethine derivatives were found to form a SD phase. We also synthesised cinnamic acid derivatives with branched alkoxy tail that were turned out to exhibit either SD phase or hexagonal columnar phase. We tried biphenyl or azobenzene core analogues which were found to produce a highly ordered smectic phase or no mesophase, respectively. At this stage, we suppose it plays an important role that the branch is introduced into the terminal chain and a certain dipole moment is located within the mesogenic core. These factors may allow the peculiar molecular packing that causes an optically isotropic property.