4-乙基-1-羟基-2,3,5,6-四溴苯 | 105590-24-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-乙基-1-羟基-2,3,5,6-四溴苯
• 英文名称: 4-ethyl-1-hydroxy-2,3,5,6-tetrabromobenzene
• 英文别名: 2,3,5,6-tetrabromo-4-ethylphenol；4-ethyl-2,3,5,6-tetrabromo-phenol；2.3.5.6-Tetrabrom-4-hydroxy-1-aethyl-benzol；4-Aethyl-2,3,5,6-tetrabrom-phenol；Phenol, 2,3,5,6-tetrabromo-4-ethyl-
• CAS: 105590-24-7
• 化学式: C₈H₆Br₄O
• 分子量: 437.751
• InChiKey: JYVAPIRBOVDRGX-UHFFFAOYSA-N

物化性质

• 熔点：
  111.0 °C
• 沸点：
  352.9±37.0 °C(Predicted)
• 密度：
  2.360±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-乙基-1-羟基-2,3,5,6-四溴苯 在 硫酸 、 溶剂黄146 、 sodium nitrite 作用下， 反应 20.0h， 生成 2,3,6-三溴-5-乙基-1,4-苯醌
  参考文献：
  名称：

  The Nitration of Some 4-Alkylphenols; Acid-Catalyzed Rearrangements of Some Polysubstituted 4-Alkyl-4-Hydroxycyclohexa-2,5-Dienones

  摘要：

  描述了 4-甲基 (6a) 和 4-乙基 (9a) 四溴苯酚以及 4-甲基 (6b) 和 4-乙基 (9b) 2,3,5-三溴-6-硝基苯酚的硝化反应。描述了 4-烷基-4-羟基环己-2,5-二烯酮（7a,b）和（8a,b）在浓硫酸中的酸催化重排，并讨论了 C4-烷基和 C6-取代基（Br 或 NO2）的性质对观察到的反应的影响。

  DOI：

  10.1071/ch9860059
• 作为产物：
  描述：

  4-乙基苯酚 在 溴 、 铁粉 作用下， 以 四氯化碳 为溶剂， 反应 18.0h， 以86%的产率得到4-乙基-1-羟基-2,3,5,6-四溴苯
  参考文献：
  名称：

  Synthesis and reactions of benzopentathiepin having hydroxyl group

  摘要：

  The synthesis of benzopentathiepin having a hydroxyl group at the neighboring position of polysulfur ring was performed by demethylation of 6-ethyl-9-methoxybenzopentathiepin with hydrogenbromide. Benzotrithiole having hydroxyl group was not isolated at all. The hydroxyl group was also alkylated with alkyl iodide in the presence of weak base. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.02.109

文献信息

• Nitrocyclohexadienones: Convenient new mono-nitrating agents for aromatic compounds
  作者：J. Roussel、M. Lemaire、A. Guy、J.P. Guetté

  DOI：10.1016/s0040-4039(00)83930-1

  日期：1986.1

  Nitrocyclohexadienones are effective nitrating agents for naphthols in dry ether at room temperature to give good yields of mononitrated products.

  硝基环己二酮是室温下干醚中萘酚的有效硝化剂，可产生良好的单硝化产物收率。
• Rural-Urban Differences in Health Risks, Resource Use and Expenditures Within Three State Medicaid Programs: Implications for Medicaid Managed Care
  作者：Janet M. Bronstein、E. Kathleen Adams

  DOI：10.1111/j.1748-0361.2002.tb00875.x

  日期：2002.12

  This study uses Medicaid claims data for income‐eligible enrollees in California, Georgia and Mississippi to compare expenditures, resource usage and health risks between residents of rural and urban areas of the states. Resource use is measured using the Resource Based Relative Value Scale (RBRVS) system for professional services, hospital days and outpatient facility visits; it also is valued at private insurance reimbursement rates for the states. Health risks are measured using the diagnosis‐based Adjusted Clinical Group system. Resource use is compared on a risk‐adjusted basis with the use of urban Medicaid enrollees as the benchmark. We find that actual expenditures for rural care users are lower than for urban care users. However, because the proportion of Medicaid enrollees who use care is higher in rural than in urban areas in all three states, expenditures per rural enrollee are not consistently lower. Case mix is more resource intensive for rural compared to urban residents in all three states. Although resource usage is not systematically lower owerall for rural enrollees, on a risk‐adjusted basis they tend to use less hospital resources than urban enrollees. Capitation rates based on historical per enrollee expenditures would not appear to under‐reimburse managed care organizations for the care of rural as opposed to urban residents in the study states.
• Zincke, Chemische Berichte, 1901, vol. 34, p. 256
  作者：Zincke

  DOI：——

  日期：——
• Nitrocyclohexadienones : a new class of nitrating agents
  作者：Marc Lemaire、Alain Guy、Jacques Roussel、Jean-paul Guette

  DOI：10.1016/s0040-4020(01)90020-1

  日期：1987.1
• 140. The action of aluminium chloride on some aromatic bromo-compounds
  作者：G. Baddeley、J. Plant

  DOI：10.1039/jr9430000525

  日期：——