Methyl 4-[(3-octadecanoylpyrrol-1-yl)methyl]benzoate | 184844-01-7

• 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: Methyl 4-[(3-octadecanoylpyrrol-1-yl)methyl]benzoate
• 英文别名: methyl 4-[(3-octadecanoylpyrrol-1-yl)methyl]benzoate
• CAS: 184844-01-7
• 化学式: C₃₁H₄₇NO₃
• 分子量: 481.719
• InChiKey: LQITXADUYDFEGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  35
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  48.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 4-[(3-octadecanoylpyrrol-1-yl)methyl]benzoate 在 盐酸 、 氢氧化钾 、 一水合肼 作用下， 生成 4-(3-Octadecyl-pyrrol-1-ylmethyl)-benzoic acid
  参考文献：
  名称：

  PREPARATION OF 3-LONG-CHAIN SUBSTITUTED 5-MEMBERED HETEROARYLENES AND STUDIES OF THEIR LANGMUIR-BLODGETT FILM FORMATION

  摘要：

  The synthesis of amphiphilic thiophene 1 and pyrrole 5 were achieved via Wittig and Friedel-Crafts reactions respectively. The ability of 1 and 5, as well as 3-heptadecylthiophene and poly(3-heptadecylthiophene), to form Langmuir-Blodgett films are discussed.

  DOI：

  10.1080/10426509608037961
• 作为产物：
  描述：

  4-(1H-吡咯-1-甲基)苯甲酸 在 四氯化锡 、 potassium carbonate 作用下， 以 丙酮 、 苯 为溶剂， 反应 7.0h， 生成 Methyl 4-[(3-octadecanoylpyrrol-1-yl)methyl]benzoate
  参考文献：
  名称：

  PREPARATION OF 3-LONG-CHAIN SUBSTITUTED 5-MEMBERED HETEROARYLENES AND STUDIES OF THEIR LANGMUIR-BLODGETT FILM FORMATION

  摘要：

  The synthesis of amphiphilic thiophene 1 and pyrrole 5 were achieved via Wittig and Friedel-Crafts reactions respectively. The ability of 1 and 5, as well as 3-heptadecylthiophene and poly(3-heptadecylthiophene), to form Langmuir-Blodgett films are discussed.

  DOI：

  10.1080/10426509608037961

文献信息

• PREPARATION OF 3-LONG-CHAIN SUBSTITUTED 5-MEMBERED HETEROARYLENES AND STUDIES OF THEIR LANGMUIR-BLODGETT FILM FORMATION
  作者：Cynthia A. F. Striley、Adel Amer、Wei Yuan Zhang、Hans Zimmer、Jerome B. Lando

  DOI：10.1080/10426509608037961

  日期：1996.8.1

  The synthesis of amphiphilic thiophene 1 and pyrrole 5 were achieved via Wittig and Friedel-Crafts reactions respectively. The ability of 1 and 5, as well as 3-heptadecylthiophene and poly(3-heptadecylthiophene), to form Langmuir-Blodgett films are discussed.