p-phenoxyacetic acid | 149704-59-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: p-phenoxyacetic acid
• 英文别名: 2-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]acetic acid
• CAS: 149704-59-6
• 化学式: C₃₉H₄₆O₃
• 分子量: 562.792
• InChiKey: NELPVULMWLFWLL-UHFFFAOYSA-N

物化性质

• 熔点：
  270 °C (decomp)
• 沸点：
  644.4±43.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  p-phenoxyacetic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成 p-phenoxyacetyl chloride
  参考文献：
  名称：

  The Electrochemically-Driven Decomplexation/Recomplexation of Inclusion Adducts of Ferrocene Derivatives with an Electron-Accepting Receptor

  摘要：

  The tetracationic cyclophane, cyclobis(paraquat-4,4'-biphenylene), binds 1,1'-disubstituted ferrocene-based polyethers as a result of (i) [pi...pi] stacking between the pi-electron-deficient bipyridinium units and the pi-electron-rich cyclopentadienyl rings and (ii) [C-H ... O] hydrogen bonds between the alpha-bipyridinium hydrogen atoms and the polyether oxygen atoms. However, even the presence of a bulky tetraarylmethane group-which is too large to thread through the cavity of the cyclophane host-at the end of each of the two polyether substituents of the ferrocene-containing guest does not discourage adduct formation of the inclusion type. Thus, in these adducts, the ferrocene unit of the guest is located inside the cavity of the host with its two polyether chains protruding outward from the same side of the host. The alternative pseudorotaxane geometry is not observed in solutions of these 1:i adducts. The host-guest adducts display absorption bands in the visible spectral region, characteristic of charge-transfer interactions. In the case of one of these adducts, reversible decomplexation/recomplexation takes place upon electrochemical oxidation/reduction of the ferrocene-based unit or upon reduction/oxidation of the tetracationic cyclophane.

  DOI：

  10.1021/jo991467z
• 作为产物：
  描述：

  1,1,1-三(4-叔丁基苯基)甲醇 在 氢氧化钾 、 乙酰氯 作用下， 反应 140.0h， 生成 p-phenoxyacetic acid
  参考文献：
  名称：

  New triarylmethyl derivatives: "blocking groups" for rotaxanes and polyrotaxanes

  摘要：

  Five triarylcarbinols (8, three new compounds) were synthesized. Using carbanion chemistry the triarylmethanes (13, five new compounds) made by formic acid reduction of 8 were converted to the omega,omega,omega-triarylalkanols (15,three new compounds) and thence to the chloro (17) and iodo (18) derivatives (five new compounds). Via carbocation chemistry p-(triarylmethyl)phenols (20,two new compounds) and aniline (21, new compound) were produced. Alkylation of 20 yielded alcohol (22), benzylic bromide (23), and carboxy (25) functionalized derivatives. The alcohol, halide, phenol, aniline, and carboxylic acid functionalized triarylmethane compounds are suitable end blocking groups for rotaxanes and polyrotaxanes.

  DOI：

  10.1021/jo00066a030

文献信息

• Synthesis of [60]fullerene-containing [2]rotaxanes using axle molecules bearing donor moiety
  作者：Yoshinori Kasai、Chika Sakamoto、Naoki Muroya、Shin-ichiro Kato、Yosuke Nakamura

  DOI：10.1016/j.tetlet.2010.11.155

  日期：2011.2

  [2]Rotaxanes, consisting of a fullerene derivative bearing an electron-donating 1,5-dialkoxynaphthalene moiety and a macrocycle containing electron-deficient naphthalenetetracarboxylic diimide moieties, were first successfully synthesized and characterized.

  [2]轮烷，由带有给电子体的1，5-二烷氧基萘部分​​的富勒烯衍生物和含有缺电子的萘四羧酸二酰亚胺部分的大环组成，已被成功地合成和表征。