[(4S,5S)-5-[[5-ethyl-2-[(E)-2-[4-[(E)-2-(4-ethyl-2-phenylmethoxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol | 1214920-22-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: [(4S,5S)-5-[[5-ethyl-2-[(E)-2-[4-[(E)-2-(4-ethyl-2-phenylmethoxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
• CAS: 1214920-22-5
• 化学式: C₄₀H₄₄O₅
• 分子量: 604.786
• InChiKey: OFCLAOKNCVVFNV-VVOLRMPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(4S,5S)-5-[[5-ethyl-2-[(E)-2-[4-[(E)-2-(4-ethyl-2-phenylmethoxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol 、 硫酸二甲酯 在 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.17h， 以70.3%的产率得到(4S,5S)-4-[[5-ethyl-2-[(E)-2-[4-[(E)-2-(4-ethyl-2-phenylmethoxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]methyl]-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
  参考文献：
  名称：

  Alternating Oligo[(2,3-O-isopropylidene-l-threitol)]-co-[(E,E)-1,4-bis(styryl)benzene]s: The Linear Chirality Transmisson Additivity Relationship in Nematic Liquid Crystals

  摘要：

  Alternating oligo[2,3-O-isopropylidene-L-threitol]-co-[(E,E)-1,4-bis(styryl)benzene]s (denoted as 2-6 in the article) show helical twisting power (HTP), in 4-pentoxyl-4'-biphenylcarbonitrile (5OCB), linearly proportional to the number of the chiral cores in the oligomers. The HTP per chiral core of -1.75 mu m(-1) was recorded in the correlation plot with a correlation coefficient of R = 0.99. These results suggested that the C, chiral L-threitol cores are aligned along the same axis. The comparable linear dichroism (LD) of 0.42 +/- 0.02 obtained for (rac)-2-5 at 405 rim, and of 0.52 +/- 0.03 for E7, a commercially available room temperature nematic solvent, at 347 nm in a parallel rubbed cell indicated that the long axis of the bis(styryl)benzene segments is more or less parallel to the director of the E7 in the LC matrix. This observation is highly exciting because the HTP per core Could still be maintained, no matter whether the cores are evenly spread in a form of monomer in the LC matrix or tightly confined in a polymer. Theoretical treatments about the conformations of the dopant in the nematic matrix are discussed.

  DOI：

  10.1021/jp909286t
• 作为产物：
  描述：

  1,4-(E,E)-bis(2'-hydroxy-4'-ethylstyryl)benzene monobenzyl ether 、 (4S,5S)-4-hydroxymethyl-2,2-dimethyl-5-tosyloxymethyl-1,3-dioxolane 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以63.1%的产率得到[(4S,5S)-5-[[5-ethyl-2-[(E)-2-[4-[(E)-2-(4-ethyl-2-phenylmethoxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
  参考文献：
  名称：

  Alternating Oligo[(2,3-O-isopropylidene-l-threitol)]-co-[(E,E)-1,4-bis(styryl)benzene]s: The Linear Chirality Transmisson Additivity Relationship in Nematic Liquid Crystals

  摘要：

  Alternating oligo[2,3-O-isopropylidene-L-threitol]-co-[(E,E)-1,4-bis(styryl)benzene]s (denoted as 2-6 in the article) show helical twisting power (HTP), in 4-pentoxyl-4'-biphenylcarbonitrile (5OCB), linearly proportional to the number of the chiral cores in the oligomers. The HTP per chiral core of -1.75 mu m(-1) was recorded in the correlation plot with a correlation coefficient of R = 0.99. These results suggested that the C, chiral L-threitol cores are aligned along the same axis. The comparable linear dichroism (LD) of 0.42 +/- 0.02 obtained for (rac)-2-5 at 405 rim, and of 0.52 +/- 0.03 for E7, a commercially available room temperature nematic solvent, at 347 nm in a parallel rubbed cell indicated that the long axis of the bis(styryl)benzene segments is more or less parallel to the director of the E7 in the LC matrix. This observation is highly exciting because the HTP per core Could still be maintained, no matter whether the cores are evenly spread in a form of monomer in the LC matrix or tightly confined in a polymer. Theoretical treatments about the conformations of the dopant in the nematic matrix are discussed.

  DOI：

  10.1021/jp909286t