1-(2-羟基苯基)十四烷-1,3-二酮 | 102315-21-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-羟基苯基)十四烷-1,3-二酮
• 英文名称: 1-(2-Hydroxyphenyl)tetradecane-1,3-dione
• 英文别名: 1-(2-Hydroxy-phenyl)-tetradecan-1,3-dion
• CAS: 102315-21-9
• 化学式: C₂₀H₃₀O₃
• 分子量: 318.456
• InChiKey: NZGJXLFXDZTHQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  23
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-羟基苯基)十四烷-1,3-二酮 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.5h， 以93%的产率得到2-Undecylchromen-4-one
  参考文献：
  名称：

  Synthesis and Properties of a New Family of Chiral Mesogens Containing the 2,3-Dihydrobenzopyran Nucleus

  摘要：

  A new class of mesogens A with a central chiral core based on the 2,3-dihydrobenzopyran nucleus was synthesized both in the racemic and optically pure form, and the thermotropic properties were studied. The distortion from structural linearity due to the presence of the 2,3-dihydropyran ring does not inhibit the existence of mesophases, and Ch, S-A, and S-C phases were observed according to the substituents present. The conformational constrictions imposed by cyclization proved not to be very important in determining the compactness of the cholesteric helix.

  DOI：

  10.1021/jo00099a022
• 作为产物：
  描述：

  Dodecanoic acid 2-acetylphenyl ester 在 氢氧化钾 作用下， 以 吡啶 为溶剂， 反应 1.5h， 以68%的产率得到1-(2-羟基苯基)十四烷-1,3-二酮
  参考文献：
  名称：

  Synthesis and Properties of a New Family of Chiral Mesogens Containing the 2,3-Dihydrobenzopyran Nucleus

  摘要：

  A new class of mesogens A with a central chiral core based on the 2,3-dihydrobenzopyran nucleus was synthesized both in the racemic and optically pure form, and the thermotropic properties were studied. The distortion from structural linearity due to the presence of the 2,3-dihydropyran ring does not inhibit the existence of mesophases, and Ch, S-A, and S-C phases were observed according to the substituents present. The conformational constrictions imposed by cyclization proved not to be very important in determining the compactness of the cholesteric helix.

  DOI：

  10.1021/jo00099a022

文献信息

• Tomino; Asino, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 29, p. 96,99
  作者：Tomino、Asino

  DOI：——

  日期：——
• Synthesis and Properties of a New Family of Chiral Mesogens Containing the 2,3-Dihydrobenzopyran Nucleus
  作者：Bianca F. Bonini、Paolo Carboni、Giovanni Gottarelli、Stefano Masiero、Gian Piero Spada

  DOI：10.1021/jo00099a022

  日期：1994.10

  A new class of mesogens A with a central chiral core based on the 2,3-dihydrobenzopyran nucleus was synthesized both in the racemic and optically pure form, and the thermotropic properties were studied. The distortion from structural linearity due to the presence of the 2,3-dihydropyran ring does not inhibit the existence of mesophases, and Ch, S-A, and S-C phases were observed according to the substituents present. The conformational constrictions imposed by cyclization proved not to be very important in determining the compactness of the cholesteric helix.