1-bromo-1,1-dideuteriododecane | 2159-25-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: 1-bromo-1,1-dideuteriododecane
• 英文别名: 1.1-Dideuterio-dodecylbromid；1,1-Dideuterododecylbromid；1-Bromododecane-1-D2
• CAS: 2159-25-3
• 化学式: C₁₂H₂₅Br
• 分子量: 251.219
• InChiKey: PBLNBZIONSLZBU-XUWBISKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  13
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-bromo-1,1-dideuteriododecane 在 lithium aluminium tetrahydride 、 potassium carbonate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 、 乙醚 、 丙酮 为溶剂， 生成 C-3,4,5-tris(1,1-dideuteriododecyloxy)benzaldehyde
  参考文献：
  名称：

  Photochemistry and Mobility of Stilbenoid Dendrimers in Their Neat Phases

  摘要：

  Selectively deuterated, dodecyloxy substituted stilbenoid dendrimers of the first and second generation were synthesized by a convergent synthesis, using the Wittig-Horner reaction. The photochemistry and the fluorescence in the different crystalline and liquid crystalline phases were investigated. Molecules deuterated at the alpha-position of the alkoxy chains were used to study the photoreactions in the neat phases by H-1 NMR. Reactions of the double bonds are exclusively observed in the liquid crystal phases. No photoreactions occur in the crystalline state. The mobility of the dendrimers was studied by means of H-2 solid-state NMR spectroscopy. The onset of the photochemistry for dendrimer 1 [all-(E)-1,3,5-tris[2-(3,4,5-tridodecyloxyphenyl)ethenyl]benzene] corresponds to the increasing mobility at the Cr/LC transition. The first generation dendrimers still show large angle motion, whereas dendrimers of the second generation 2 [all-(E)-1, 3,5-tris(2-{3,5-bis[2-(3,4,5-tridodecyloxyphenyl) ethenyl] phenyl}ethenyl) benzene] are restricted to librational motions. Photochemical conversion and fluorescence quenching for first and second generation dendrimers 1 and 2 increase with increasing molecular motion and reach a maximum in the isotropic phase.

  DOI：

  10.1021/ja0366179
• 作为产物：
  描述：

  1-d2-dodecanol 在 brominating agent 作用下， 生成 1-bromo-1,1-dideuteriododecane
  参考文献：
  名称：

  Ebelhaeuser; Spiess, Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics, 1985, vol. 89, # 11, p. 1208 - 1214

  摘要：

  DOI：