(S)-4'-<(2-methyl-1-butoxy)carbonyl>biphenyl-4-yl 4-<4-(allyloxyl)phenyl>benzoate | 93001-04-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: (S)-4'-<(2-methyl-1-butoxy)carbonyl>biphenyl-4-yl 4-<4-(allyloxyl)phenyl>benzoate
• 英文别名: (S)-4'-<(2-methyl-1-butoxy)carbonyl>biphenyl-4-yl 4-<4-(allyloxy)phenyl>benzoate；(S)-4'-[(2-methyl-1-butoxy)carbonyl]biphenyl-4-yl 4-[4-(allyloxy)phenyl]benzoate；[(2S)-2-methylbutyl] 4-[4-[4-(4-prop-2-enoxyphenyl)benzoyl]oxyphenyl]benzoate
• CAS: 93001-04-8
• 化学式: C₃₄H₃₂O₅
• 分子量: 520.625
• InChiKey: ULMDAQAFSKOKEN-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  39
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  S-(-)-2-甲基-1-丁醇 在 硫酸 、 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 50.0h， 生成 (S)-4'-<(2-methyl-1-butoxy)carbonyl>biphenyl-4-yl 4-<4-(allyloxyl)phenyl>benzoate
  参考文献：
  名称：

  Synthesis of smectic liquid-crystalline polysiloxanes from biphenylcarboxylate esters and their use as stationary phases for high-resolution gas chromatography

  摘要：

  DOI：

  10.1021/jo00199a038

文献信息

• Synthesis of smectic liquid-crystalline polysiloxanes from biphenylcarboxylate esters and their use as stationary phases for high-resolution gas chromatography
  作者：Brian A. Jones、Jerald S. Bradshaw、Masaharu Nishioka、Milton L. Lee

  DOI：10.1021/jo00199a038

  日期：1984.12
• US4864033A
  申请人：——

  公开号：US4864033A

  公开（公告）日：1989-09-05
• Synthesis, Characterization, and Thermotropic Properties of Liquid Crystals with an Oligo (Ethylene Oxide) Monomethyl Substituent I: Biphenyl-Based Systems
  作者：Guo-Ping Chang-Chien

  DOI：10.1002/jccs.199600059

  日期：1996.10

  AbstractNew alkene liquid crystals 4‐[oligo(ethylene oxide)o, monomethylether)carbonyl]phenyl 4‐[4(allyloxy) phenyl]benzoate(MBPBEn, n = 1‐3), 4′‐[oligo(ethylene oxide)o, monomethylether)carbonyl]biphenyl‐4‐yl 4‐[4‐(al1yloxy)phenyl]benzoate(MBPBPEn, n = 1‐3), (S)‐4‐[(2‐methyl‐I‐butoxy)carbonyl]phenyl 4[4‐(allyloxy)phenyl]benzoate(MBPBKA), and (S)‐4′‐[(2‐methyl‐l‐butoxy)carbonyl]biphenyl‐4‐yl 4‐[4(allyloxy)phenyl]benzoate(MBPBPKA) were synthesized and characterized using 1H‐NMR and elemental analysis methods. The thermal transition temperatures, mesomorphic properties, and mesophase textures of these compounds have been determined by differential scanning calorimetry (DSC), by polarizing optical microscopy, and by X‐ray diffraction analysis. The effect of changes in chemical structure on the mesophase properties, mesophase and isotropic transition temperatures, and mesophase textures are discussed.