4-(2-hydroxyisopropyl)-2,6-dibromophenol | 55182-66-6

• 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: 4-(2-hydroxyisopropyl)-2,6-dibromophenol
• 英文别名: 2,6-Dibromo-4-(2-hydroxypropan-2-yl)phenol；2,6-dibromo-4-(2-hydroxypropan-2-yl)phenol
• CAS: 55182-66-6
• 化学式: C₉H₁₀Br₂O₂
• 分子量: 309.985
• InChiKey: VQHUVVSQWVKZSM-UHFFFAOYSA-N

物化性质

• 沸点：
  298.1±35.0 °C(Predicted)
• 密度：
  1.846±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-hydroxyisopropyl)-2,6-dibromophenol 生成 4-Isopropyliden-2,6-dibrom-2,5-cyclohaxadienon
  参考文献：
  名称：

  Pospisek,J. et al., Collection of Czechoslovak Chemical Communications, 1975, vol. 40, p. 142 - 148

  摘要：

  DOI：
• 作为产物：
  描述：

  4-异丙基苯酚 在 水 、 溴 作用下， 以 四氯化碳 、 溶剂黄146 为溶剂， 反应 77.07h， 生成 4-(2-hydroxyisopropyl)-2,6-dibromophenol
  参考文献：
  名称：

  Photochemical transformations of tetrabromobisphenol A and related phenols in water

  摘要：

  A method was developed for studies of the phototransformation at UV irradiation of aqueous solutions of tetrabromobisphenol A (TBBPA), tribromobisphenol A (TriBBPA), tetrachlorobisphenol A (TCBPA), 2,4-dichlorophenol at various pHs as well as 2-chlorophenol, 2-bromophenol, 3,4-dichlorophenol and bisphenol A at pH 11. The absorbance spectra of the compounds and the emission spectra of the light-source were determined and used to calculate disappearance quantum yields of the photochemical reactions that were taking place. No major differences between the disappearance quantum yields of TBBPA and TCBPA were observed at pH 10, while the disappearance quantum yield of TriBBPA was approximately two times higher. The rate of decomposition of TBBPA was six times higher at pH 8 than at pH 6. Identification of the degradation products of TBBPA and TriBBPA, by GC-MS analysis and by comparison to synthesised reference compounds, indicated that TBBPA and TriBBPA decompose via different mechanisms. Three isopropylphenol derivatives; 4-isopropyl-2,6-dibromophenol, 4-isopropylene-2,6-dibromophenol and 4-(2-hydroxyisopropyl)-2,6-dibromophenol, were identified as major degradation products of TBBPA while the major degradation product of TriBBPA was tentatively identified as 2-(2,4-cyclopentadienyl)-2-(3,5-dibromo-4-hydroxyphenyl)propane. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(03)00704-5

文献信息

• Oxidative Debromination and Degradation of Tetrabromo-bisphenol A by a Functionalized Silica-Supported Iron(III)-tetrakis(p-sulfonatophenyl)porphyrin Catalyst
  作者：Qianqian Zhu、Yusuke Mizutani、Shohei Maeno、Masami Fukushima

  DOI：10.3390/molecules18055360

  日期：——

  community. Iron(III)-porphyrin complexes are generally regarded as "green" catalysts and have been reported to catalyze the efficient degradation and dehalogenation of halogenated phenols in environmental wastewaters. However, they are quickly deactivated due to self-degradation in the presence of an oxygen donor, such as KHSO₅. In the present study, an iron(III)-tetrakis (p-sulfonatophenyl)-porphyrin

  四溴双酚 A (TBBPA) 是一种常用的溴化阻燃剂，也可作为内分泌干扰物。因此，TBBPA 的降解引起了科学界的极大兴趣。铁 (III)-卟啉配合物通常被认为是“绿色”催化剂，据报道可催化环境废水中卤代酚的有效降解和脱卤。然而，由于在供氧体（如 KHSO₅）存在下自降解，它们会迅速失活。在本研究中，铁 (III)-四 (对磺基苯基)-卟啉 (FeTPPS) 通过 Fe(III) 与咪唑中的氮原子配位固定在咪唑改性二氧化硅 (FeTPPS/IPS) 上以抑制自降解，从而提高催化剂的可重复使用性。研究了 TBBPA 的氧化降解和脱溴以及浸出液中的主要成分腐植酸 (HA) 对 TBBPA 氧化的影响。在不存在 HA 的情况下，超过 95% 的 TBBPA 在 3 到 8 的 pH 范围内被降解，而在 HA 存在下，反应的最佳 pH 值为 8。尽管在 HA 存在下降解率降低，但在 28 mg-C
• Pospisek,J. et al., Collection of Czechoslovak Chemical Communications, 1975, vol. 40, p. 142 - 148
  作者：Pospisek,J. et al.

  DOI：——

  日期：——
• Photochemical transformations of tetrabromobisphenol A and related phenols in water
  作者：Johan Eriksson、Sara Rahm、Nicholas Green、Åke Bergman、Eva Jakobsson

  DOI：10.1016/s0045-6535(03)00704-5

  日期：2004.1

  A method was developed for studies of the phototransformation at UV irradiation of aqueous solutions of tetrabromobisphenol A (TBBPA), tribromobisphenol A (TriBBPA), tetrachlorobisphenol A (TCBPA), 2,4-dichlorophenol at various pHs as well as 2-chlorophenol, 2-bromophenol, 3,4-dichlorophenol and bisphenol A at pH 11. The absorbance spectra of the compounds and the emission spectra of the light-source were determined and used to calculate disappearance quantum yields of the photochemical reactions that were taking place. No major differences between the disappearance quantum yields of TBBPA and TCBPA were observed at pH 10, while the disappearance quantum yield of TriBBPA was approximately two times higher. The rate of decomposition of TBBPA was six times higher at pH 8 than at pH 6. Identification of the degradation products of TBBPA and TriBBPA, by GC-MS analysis and by comparison to synthesised reference compounds, indicated that TBBPA and TriBBPA decompose via different mechanisms. Three isopropylphenol derivatives; 4-isopropyl-2,6-dibromophenol, 4-isopropylene-2,6-dibromophenol and 4-(2-hydroxyisopropyl)-2,6-dibromophenol, were identified as major degradation products of TBBPA while the major degradation product of TriBBPA was tentatively identified as 2-(2,4-cyclopentadienyl)-2-(3,5-dibromo-4-hydroxyphenyl)propane. (C) 2003 Elsevier Ltd. All rights reserved.