p-dodecyl ethyl benzoate | 86892-28-6

• 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: p-dodecyl ethyl benzoate
• 英文别名: ethyl 4-dodecylbenzoate；Ethyl 4-dodecylbenzoate
• CAS: 86892-28-6
• 化学式: C₂₁H₃₄O₂
• 分子量: 318.5
• InChiKey: UEWGSVUNDJPGGA-UHFFFAOYSA-N

物化性质

• 沸点：
  415.1±24.0 °C(Predicted)
• 密度：
  0.932±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  23
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-dodecyl ethyl benzoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 72.0h， 生成 1,3,6,8-tetrakis(4-dodecylphenyl)cyclopenta[a]pentaleno[1,2,3-fg]acenaphthylene-2,7-dione
  参考文献：
  名称：

  8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs)

  摘要：

  [GRAPHICS]The synthesis of phenyl-substituted 8,9-dibromofluoranthene and p-dodecylphenyl-substituted 8,9-fluoranthene anthranilic acid is presented. Their synthetic potential as 8,9-didehydrofluoranthene precursors is demonstrated in combination with a new biscyclopentadienone by the synthesis of novel phenyl-substituted PAHs with up to 14 annulated rings. The crystal structure of 7,16-diphenyifluorantheno[8,9-k]fluoranthene is given.

  DOI：

  10.1021/ol016391j
• 作为产物：
  描述：

  1-十二烯十二碳烯α-十二碳烯α-十二碳烯 、 4-溴苯甲酸乙酯 在 四(三苯基膦)钯 dimeric 9-borabicyclo[3.3.1]nonane 、 sodium hydroxide 作用下， 以 甲苯 、 水 为溶剂， 反应 72.0h， 以98%的产率得到p-dodecyl ethyl benzoate
  参考文献：
  名称：

  8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs)

  摘要：

  [GRAPHICS]The synthesis of phenyl-substituted 8,9-dibromofluoranthene and p-dodecylphenyl-substituted 8,9-fluoranthene anthranilic acid is presented. Their synthetic potential as 8,9-didehydrofluoranthene precursors is demonstrated in combination with a new biscyclopentadienone by the synthesis of novel phenyl-substituted PAHs with up to 14 annulated rings. The crystal structure of 7,16-diphenyifluorantheno[8,9-k]fluoranthene is given.

  DOI：

  10.1021/ol016391j

文献信息

• Highly nucleophilic vitamin B₁₂-assisted nickel-catalysed reductive coupling of aryl halides and non-activated alkyl tosylates
  作者：Kimihiro Komeyama、Ryo Ohata、Shinnosuke Kiguchi、Itaru Osaka

  DOI：10.1039/c7cc01932g

  日期：——

  Reductive cross-coupling of aryl halides with ubiquitous alkyl tosylates was developed using a combination of nickel and vitamin B12 catalysts. The tosylate was activated by reduced vitamin B12 to form alkyl cobalt(III) which served as a good alkylating agent for aryl-nickel species, leading to the C(sp3)–C(sp2) bond formation.

  使用镍和维生素B 12催化剂的组合开发了芳基卤化物与无处不在的烷基甲苯磺酸盐的还原性交叉偶联反应。甲苯磺酸盐通过还原的维生素B 12活化而形成烷基钴（III），该烷基钴可作为芳基镍物种的良好烷基化剂，从而导致C（sp 3）–C（sp 2）键的形成。
• Ohta, Kazuchika; Muroki, Hiromitsu; Takagi, Akira, Molecular Crystals and Liquid Crystals (1969-1991), 1986, vol. 135, p. 247 - 264
  作者：Ohta, Kazuchika、Muroki, Hiromitsu、Takagi, Akira、Yamamoto, Iwao、Matszaki, Kei

  DOI：——

  日期：——
• 8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs)
  作者：Wolf Dietrich Neudorff、Niels Schulte、Dieter Lentz、A. Dieter Schlüter

  DOI：10.1021/ol016391j

  日期：2001.10.1

  [GRAPHICS]The synthesis of phenyl-substituted 8,9-dibromofluoranthene and p-dodecylphenyl-substituted 8,9-fluoranthene anthranilic acid is presented. Their synthetic potential as 8,9-didehydrofluoranthene precursors is demonstrated in combination with a new biscyclopentadienone by the synthesis of novel phenyl-substituted PAHs with up to 14 annulated rings. The crystal structure of 7,16-diphenyifluorantheno[8,9-k]fluoranthene is given.