4-{[3,4-di(dodecadecyloxy)-5-(12'-methylacrylatedodecadecyloxy)]benzoyloxy}aniline | 477197-74-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-{[3,4-di(dodecadecyloxy)-5-(12'-methylacrylatedodecadecyloxy)]benzoyloxy}aniline
• 英文别名: (4-Aminophenyl) 3,4-didodecoxy-5-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate；(4-aminophenyl) 3,4-didodecoxy-5-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate
• CAS: 477197-74-3
• 化学式: C₅₃H₈₇NO₇
• 分子量: 850.276
• InChiKey: XSKYZRGBKIADEE-UHFFFAOYSA-N

物化性质

• 沸点：
  833.7±48.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  61
• 可旋转键数：
  43
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-{[3,4-di(dodecadecyloxy)-5-(12'-methylacrylatedodecadecyloxy)]benzoyloxy}aniline 、 2-formyl-6'-hydroxymethyl-2,2'-bipyridine 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 以51%的产率得到
  参考文献：
  名称：

  易于进入带有用于氢键的悬垂伯醇功能的席夫碱分子

  摘要：

  以MnO 2 为氧化剂制备了一系列单氧化吡啶、联吡啶、三联吡啶和吡啶/哒嗪骨架。相应的席夫碱是用带有各种功能的芳香胺或脂肪胺制备的，例如链烷烃链、末端丙烯酸酯和第二个氮原子。各种柔性系链已用于双位配体合成。这些配体为较短的链形成双核螺旋。由 CH 2 -CH 2 桥制备的双核铜 (I) 配合物通过残余伯醇基团的氢键网络以固态聚集。对于较长的间隔物，双位配体包裹在单个铜 (I) 中心周围，形成单核复合物。这项工作的一个显着优点是它允许制备保留羟甲基功能的配体和配合物，

  DOI：

  10.1055/s-2004-834943
• 作为产物：
  描述：

  12-溴-1-十二烷醇 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 氢氧化钾 、 silica gel 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 4-{[3,4-di(dodecadecyloxy)-5-(12'-methylacrylatedodecadecyloxy)]benzoyloxy}aniline
  参考文献：
  名称：

  A facile route to multi-functionalization of methyl gallate: pivotal synthons for mesomorphic materials

  摘要：

  The preparation of mono-, di- and trisubstituted gallic derivatives is described using either 1-bromododecane or 12-bromo-1-dodecanol. After saponification of the methyl ester bearing the dodecanol groups, subsequent functionalization with methacryloyl chloride provides the hybrid methacrylate esters/anhydride species. Selective cleavage of the anhydride function gives rise to the corresponding acids, which have been further functionalized to the imine derivative 15 by condensation with 4-[imino-4-(toluyl)]phenol. This reaction is made possible using the acidic form of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide (EDC.HCI) and dimethylaminopyridine (DMAP). Selective hydrolysis of the imine function with a HCl-treated silica provides the targeted aniline in excellent yield. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01101-2

文献信息

• Selective Oxidation of a Single Primary Alcohol Function in Oligopyridine Frameworks
  作者：Raymond Ziessel、Patrick Nguyen、Laurent Douce、Michèle Cesario、Claude Estournes

  DOI：10.1021/ol0491843

  日期：2004.8.1

  A variety of mono-oxidized pyridine, bipyridine, terpyridine, and pyridine/pyridazine are readily prepared under mild conditions using Pyrolusite MnO2. This phase has been characterized by means of X-ray powder diffraction and scanning electron microscopy. The oxidative activity is in keeping with the nature, morphology, and surface area of the MnO2 reagent.
• A facile route to multi-functionalization of methyl gallate: pivotal synthons for mesomorphic materials
  作者：Patrick Nguyen、Laurent Douce、Raymond Ziessel

  DOI：10.1016/s0040-4039(02)01101-2

  日期：2002.7

  The preparation of mono-, di- and trisubstituted gallic derivatives is described using either 1-bromododecane or 12-bromo-1-dodecanol. After saponification of the methyl ester bearing the dodecanol groups, subsequent functionalization with methacryloyl chloride provides the hybrid methacrylate esters/anhydride species. Selective cleavage of the anhydride function gives rise to the corresponding acids, which have been further functionalized to the imine derivative 15 by condensation with 4-[imino-4-(toluyl)]phenol. This reaction is made possible using the acidic form of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide (EDC.HCI) and dimethylaminopyridine (DMAP). Selective hydrolysis of the imine function with a HCl-treated silica provides the targeted aniline in excellent yield. (C) 2002 Elsevier Science Ltd. All rights reserved.
• An Easy Entry into Schiff Base Molecules Bearing a Pendant Primary Alcohol Function for Hydrogen Bonding
  作者：Raymond Ziessel、Patrick Nguyen

  DOI：10.1055/s-2004-834943

  日期：——

  2 as oxidant. Corresponding Schiff bases were prepared with aromatic or aliphatic amines carrying various functions such as paraffin chains, terminal acrylates and a second nitrogen atom. Various flexible tethers have been used for the ditopic ligands synthesis. These ligands formed dinuclear helicates for the shorter chains. The dinuclear copper(I) complex prepared from the CH 2 -CH 2 bridge is aggregated

  以MnO 2 为氧化剂制备了一系列单氧化吡啶、联吡啶、三联吡啶和吡啶/哒嗪骨架。相应的席夫碱是用带有各种功能的芳香胺或脂肪胺制备的，例如链烷烃链、末端丙烯酸酯和第二个氮原子。各种柔性系链已用于双位配体合成。这些配体为较短的链形成双核螺旋。由 CH 2 -CH 2 桥制备的双核铜 (I) 配合物通过残余伯醇基团的氢键网络以固态聚集。对于较长的间隔物，双位配体包裹在单个铜 (I) 中心周围，形成单核复合物。这项工作的一个显着优点是它允许制备保留羟甲基功能的配体和配合物，