4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoic acid | 921597-75-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoic acid
• CAS: 921597-75-3
• 化学式: C₁₇H₁₅F₃O₃
• 分子量: 324.3
• InChiKey: AOSLFYHWWRZHPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.48
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoic acid 、 顺-(1R,2S)-(-)-苄胺环己烷甲醇 以 乙醇 为溶剂， 生成 、
  参考文献：
  名称：

  Synthesis of optically active 4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoic acid and its application to chiral dopant for nematic liquid crystals

  摘要：

  We synthesized an optically active 4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl)butanoic acid (5*). New chiral dopants for nematic liquid crystals were derived from (R)-(-)-5*, and their helical twisting power (HTP) values were measured. Their HTP values were largely influenced by the linkage between the asymmetric frame and the core moiety. The chiral dopant, (R)-(+)-4,4,4-trifluoro-1-(4-hexyloxyphenyl)-3-{4-(4-methoxyphenyl)phenyl}-1-butanone ((R)-(+)-7*) showed the largest HTP value (-21.7 mu m(-1)). (C) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.11.005
• 作为产物：
  描述：

  ethyl 4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoate 在 氢氧化钾 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 以98.3%的产率得到4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoic acid
  参考文献：
  名称：

  Synthesis of optically active 4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl}butanoic acid and its application to chiral dopant for nematic liquid crystals

  摘要：

  We synthesized an optically active 4,4,4-trifluoro-3-{4-(4-methoxyphenyl)phenyl)butanoic acid (5*). New chiral dopants for nematic liquid crystals were derived from (R)-(-)-5*, and their helical twisting power (HTP) values were measured. Their HTP values were largely influenced by the linkage between the asymmetric frame and the core moiety. The chiral dopant, (R)-(+)-4,4,4-trifluoro-1-(4-hexyloxyphenyl)-3-{4-(4-methoxyphenyl)phenyl}-1-butanone ((R)-(+)-7*) showed the largest HTP value (-21.7 mu m(-1)). (C) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.11.005