Methyl 3-[11-(decylamino)-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate | 545389-68-2

• 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 3-[11-(decylamino)-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate
• 英文别名: methyl 3-[11-(decylamino)-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate
• CAS: 545389-68-2
• 化学式: C₄₄H₇₈N₂O₇
• 分子量: 747.113
• InChiKey: GNOKXUKNVCWYPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  53
• 可旋转键数：
  37
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 3-[11-(decylamino)-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  New bisamides gelators: relationship between chemical structure and fiber morphology

  摘要：

  Different dialkoxybenzoic acid derivatives with identical alkyl chain lengths were synthesized and their properties as organogelators evaluated. Only the compounds bearing amide groups behave like gelators. Their gelation abilities and phase diagrams were described. A structural study was conducted by freeze-fracture electron microscopy and showed that the methyl ester formed platelet-like aggregates whereas the corresponding free acid formed thin fibers in the gel. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00456-8
• 作为产物：
  描述：

  1-氨基癸烷 、 11-[3-Methoxycarbonyl-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]phenoxy]undecanoic acid 在 N-甲基吡咯烷酮 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以92%的产率得到Methyl 3-[11-(decylamino)-11-oxoundecoxy]-5-[10-[(2-methylpropan-2-yl)oxycarbonylamino]decoxy]benzoate
  参考文献：
  名称：

  New bisamides gelators: relationship between chemical structure and fiber morphology

  摘要：

  Different dialkoxybenzoic acid derivatives with identical alkyl chain lengths were synthesized and their properties as organogelators evaluated. Only the compounds bearing amide groups behave like gelators. Their gelation abilities and phase diagrams were described. A structural study was conducted by freeze-fracture electron microscopy and showed that the methyl ester formed platelet-like aggregates whereas the corresponding free acid formed thin fibers in the gel. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00456-8

文献信息

• New bisamides gelators: relationship between chemical structure and fiber morphology
  作者：Rolf Schmidt、Fahuzi B. Adam、Marc Michel、Marc Schmutz、Gero Decher、Philippe J. Mésini

  DOI：10.1016/s0040-4039(03)00456-8

  日期：2003.4

  Different dialkoxybenzoic acid derivatives with identical alkyl chain lengths were synthesized and their properties as organogelators evaluated. Only the compounds bearing amide groups behave like gelators. Their gelation abilities and phase diagrams were described. A structural study was conducted by freeze-fracture electron microscopy and showed that the methyl ester formed platelet-like aggregates whereas the corresponding free acid formed thin fibers in the gel. (C) 2003 Elsevier Science Ltd. All rights reserved.