2,3,5,6-四溴-4-乙基-4-羟基环己-2,5-二烯酮 | 105590-25-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,3,5,6-四溴-4-乙基-4-羟基环己-2,5-二烯酮
• 中文别名: 2,5-环己二烯-1-酮,2,3,5,6-四溴-4-乙基-4-羟基-
• 英文名称: 2,3,5,6-tetrabromo-4-ethyl-4-hydroxycyclohexa-2,5-dienone
• 英文别名: 4-ethyl-2,3,5,6-tetrabromo-4-hydroxy-cyclohexa-2,5-dienone；4-Aethyl-2,3,5,6-tetrabrom-4-hydroxy-cyclohexa-2,5-dienon；2,3,5,6-tetrabromo-4-ethyl-4-hydroxycyclohexa-2,5-dien-1-one
• CAS: 105590-25-8
• 化学式: C₈H₆Br₄O₂
• 分子量: 453.75
• InChiKey: NLYCWVAFJQJIJL-UHFFFAOYSA-N

物化性质

• 熔点：
  139-141 °C
• 沸点：
  449.8±45.0 °C(Predicted)
• 密度：
  2.638±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,3,5,6-四溴-4-乙基-4-羟基环己-2,5-二烯酮 在 硝酸 作用下， 反应 0.17h， 以173 mg的产率得到2,3,5,6-tetrabromo-4-ethyl-4-nitratocyclohexa-2,5-dienone
  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-1-羟基-2,3,5,6-四溴苯 在 硝酸 、 溶剂黄146 作用下， 以 溶剂黄146 为溶剂， 反应 1.75h， 生成 2,3,5,6-四溴-4-乙基-4-羟基环己-2,5-二烯酮
  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

文献信息

• Zincke, Chemische Berichte, 1901, vol. 34, p. 256
  作者：Zincke

  DOI：——

  日期：——
• Zincke; Buff, Justus Liebigs Annalen der Chemie, 1905, vol. 341, p. 347
  作者：Zincke、Buff

  DOI：——

  日期：——
• GRAY, M. J.;HARTSHORN, M. P.;VAUGHAN, J., AUSTRAL. J. CHEM., 1986, 39, N 1, 59-68
  作者：GRAY, M. J.、HARTSHORN, M. P.、VAUGHAN, J.

  DOI：——

  日期：——
• 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.
• The Nitration of Some 4-Alkylphenols; Acid-Catalyzed Rearrangements of Some Polysubstituted 4-Alkyl-4-Hydroxycyclohexa-2,5-Dienones
  作者：MJ Gray、MP Hartshorn、J Vaughan

  DOI：10.1071/ch9860059

  日期：——

  The nitrations of 4-methyl (6a) and 4-ethyl (9a) tetrabromo phenols, and 4-methyl (6b) and 4-ethyl (9b) 2,3,5-tribromo-6-nitrophenols are described. The acid- catalysed rearrangements of 4-alkyl-4-hydroxycyclohexa-2,5-dienones (7a,b) and (8a,b) in concentrated sulfuric acid are described, and the effects of the nature of the C4- alkyl group and C6-substituent (Br or NO2) on the observed reactions are discussed.

  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。