[2-[2-Carboxymethoxy-3-(2-carboxymethoxy-5-methyl-benzyl)-5-methyl-benzyl]-6-(2-carboxymethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetic acid | 518361-61-0

• 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-[2-Carboxymethoxy-3-(2-carboxymethoxy-5-methyl-benzyl)-5-methyl-benzyl]-6-(2-carboxymethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetic acid
• 英文别名: 2-[2-[[2-(Carboxymethoxy)-3-[[2-(carboxymethoxy)-3-[[2-(carboxymethoxy)-5-methylphenyl]methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-4-methylphenoxy]acetic acid
• CAS: 518361-61-0
• 化学式: C₃₉H₄₀O₁₂
• 分子量: 700.739
• InChiKey: ADYXLSSANXZCAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  51
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  186
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [2-[2-Carboxymethoxy-3-(2-carboxymethoxy-5-methyl-benzyl)-5-methyl-benzyl]-6-(2-carboxymethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 3.0h， 以93%的产率得到[2-[2-Chlorocarbonylmethoxy-3-(2-chlorocarbonylmethoxy-5-methyl-benzyl)-5-methyl-benzyl]-6-(2-chlorocarbonylmethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetyl chloride
  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-[2-Ethoxycarbonylmethoxy-3-(2-ethoxycarbonylmethoxy-5-methyl-benzyl)-5-methyl-benzyl]-6-(2-ethoxycarbonylmethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetic acid ethyl ester 在 四甲基氢氧化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 以70%的产率得到[2-[2-Carboxymethoxy-3-(2-carboxymethoxy-5-methyl-benzyl)-5-methyl-benzyl]-6-(2-carboxymethoxy-5-methyl-benzyl)-4-methyl-phenoxy]-acetic acid
  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.