4-n-hexyl-4'-(3-bromo)propyloxyazobenzene | 215095-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4-n-hexyl-4'-(3-bromo)propyloxyazobenzene
• 英文别名: [4-(3-Bromopropoxy)phenyl]-(4-hexylphenyl)diazene
• CAS: 215095-95-7
• 化学式: C₂₁H₂₇BrN₂O
• 分子量: 403.362
• InChiKey: VVVMWNSWTWXGNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  34
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-n-hexyl-4'-(3-bromo)propyloxyazobenzene 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-[4-[(4-Hexylphenyl)diazenyl]phenoxy]propane-1-thiol
  参考文献：
  名称：

  A Convenient Synthesis of Novel Mercapto-Ended Azobenzene Derivatives

  摘要：

  Treatment of the product from the Diazo-Coupling reaction of p-alkylaniline with 1,3-dibromopropane in THF affords intermediate compounds n-C(n)H(2n+1)AzoO(CH2)(m)Br. Subsequent treatment of these intermediate with thiourea in ethanol at reflux temperature leads to the desired azobenzene derivatives, n-C(n)H(2n+1)AzoO(CH2)(m)SH (n=4,6,8,10,12; m=3,5), in good yield. The structure data of these new compounds was presented in detail.

  DOI：

  10.1080/00397919808004930
• 作为产物：
  描述：

  4-己基苯胺 在 盐酸 、 氢氧化钾 、 sodium carbonate 、 sodium nitrite 作用下， 以 四氢呋喃 为溶剂， 生成 4-n-hexyl-4'-(3-bromo)propyloxyazobenzene
  参考文献：
  名称：

  A Convenient Synthesis of Novel Mercapto-Ended Azobenzene Derivatives

  摘要：

  Treatment of the product from the Diazo-Coupling reaction of p-alkylaniline with 1,3-dibromopropane in THF affords intermediate compounds n-C(n)H(2n+1)AzoO(CH2)(m)Br. Subsequent treatment of these intermediate with thiourea in ethanol at reflux temperature leads to the desired azobenzene derivatives, n-C(n)H(2n+1)AzoO(CH2)(m)SH (n=4,6,8,10,12; m=3,5), in good yield. The structure data of these new compounds was presented in detail.

  DOI：

  10.1080/00397919808004930

文献信息

• Photoinduced Phase Transitions in Chiral Binaphthyl-diol-doped Smectic Liquid Crystals by a Photochromic Azobenzene
  作者：Guojie Wang、Mingzhi Zhang、Qiang Yang、Fang Liu、Zihui Cheng、Renwei Guo、Huai Yang

  DOI：10.1246/cl.2010.1144

  日期：2010.11.5

  The liquid crystalline states of mixtures of smectic 4-octyl-4′-cyanobiphenyl, chiral binaphthyl-diol, and a photochromic azobenzene derivative, 4-n-hexyl-4′-(1-bromopropyloxy)azobenzene, are depen...

  近晶 4-辛基-4'-氰基联苯、手性联萘二醇和光致变色偶氮苯衍生物 4-n-己基-4'-(1-溴丙氧基)偶氮苯的混合物的液晶状态取决于...