(2,3,4,5,6-Pentafluorophenyl) 2-[4-methyl-2-[[5-methyl-3-[[5-methyl-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]phenoxy]acetate | 518361-66-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (2,3,4,5,6-Pentafluorophenyl) 2-[4-methyl-2-[[5-methyl-3-[[5-methyl-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]phenoxy]acetate
• CAS: 518361-66-5
• 化学式: C₄₇H₂₇F₁₅O₉
• 分子量: 1020.7
• InChiKey: SQTSBQWQZCXBRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  71
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  L-苯丙氨酸甲酯 、 (2,3,4,5,6-Pentafluorophenyl) 2-[4-methyl-2-[[5-methyl-3-[[5-methyl-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]phenoxy]acetate 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以52%的产率得到methyl (2S)-2-[[2-[2-[[2-[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]-3-[[2-[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-4-methylphenoxy]acetyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  FACILE PREPARATION OF O-SUBSTITUTED ACYCLIC PHENOL–FORMALDEHYDE OLIGOMERS

  摘要：

  Acyclic p-cresol-formaldehyde oligomers (dimer, trimer, and tetramer) having ester, carboxylic acid, amide groups on the phenolic OH groups were prepared in good yields.

  DOI：

  10.1081/scc-120015403
• 作为产物：
  描述：

  [2,6-Bis-(2-ethoxycarbonylmethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetic acid ethyl ester 在 四甲基氢氧化铵 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 (2,3,4,5,6-Pentafluorophenyl) 2-[4-methyl-2-[[5-methyl-3-[[5-methyl-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]-2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]methyl]phenoxy]acetate
  参考文献：
  名称：

  FACILE PREPARATION OF O-SUBSTITUTED ACYCLIC PHENOL–FORMALDEHYDE OLIGOMERS

  摘要：

  Acyclic p-cresol-formaldehyde oligomers (dimer, trimer, and tetramer) having ester, carboxylic acid, amide groups on the phenolic OH groups were prepared in good yields.

  DOI：

  10.1081/scc-120015403

文献信息

• FACILE PREPARATION OF <i>O</i>-SUBSTITUTED ACYCLIC PHENOL–FORMALDEHYDE OLIGOMERS
  作者：Kazuaki Ito、Toshiro Takasawa、Yoshihiro Ohba

  DOI：10.1081/scc-120015403

  日期：2002.1.1

  Acyclic p-cresol-formaldehyde oligomers (dimer, trimer, and tetramer) having ester, carboxylic acid, amide groups on the phenolic OH groups were prepared in good yields.