4-methoxy-3,5-dinitrobenzyl alcohol | 108038-53-5

• 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-methoxy-3,5-dinitrobenzyl alcohol
• 英文别名: 4-Methoxy-3,5-dinitrobenzenemethanol；(4-methoxy-3,5-dinitrophenyl)methanol
• CAS: 108038-53-5
• 化学式: C₈H₈N₂O₆
• 分子量: 228.161
• InChiKey: CQQDEYNXXCKROI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  115.74
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-methoxy-3,5-dinitrobenzyl alcohol 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以80 %的产率得到4-methoxy-3,5-dinitrobenzyl bromide
  参考文献：
  名称：

  Both Nitro Groups Are Essential for High Antitubercular Activity of 3,5-Dinitrobenzylsulfanyl Tetrazoles and 1,3,4-Oxadiazoles through the Deazaflavin-Dependent Nitroreductase Activation Pathway

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00925
• 作为产物：
  描述：

  4-甲氧基-3,5-二硝基苯甲酸 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以71 %的产率得到4-methoxy-3,5-dinitrobenzyl alcohol
  参考文献：
  名称：

  Both Nitro Groups Are Essential for High Antitubercular Activity of 3,5-Dinitrobenzylsulfanyl Tetrazoles and 1,3,4-Oxadiazoles through the Deazaflavin-Dependent Nitroreductase Activation Pathway

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00925

文献信息

• Psychiatric disorders amongst adults with learning disabilities - prevalence and relationship to ability level
  作者：Sally-Ann Cooper、Nicola M Bailey

  DOI：10.1017/s0790966700006315

  日期：2001.6

  Objectives: To determine the prevalence of psychiatric disorders in adults with learning disabilities, and the relationship with severity of learning disabilities.

  Method: The study is population-based. Detailed psychiatric assessments on 207 adults with learning disabilities living in Leicestershire, UK. were conducted by a learning disabilities psychiatrist, using the Present Psychiatric State - Learning Disabilities; and Disability Assessment Schedule. Diagnostic criteria are clearly defined. Developmental assessments were undertaken using the Vineland Scale (survey form).

  Results: Psychiatric disorders were found in 49.2%, and rates for most individual disorders were higher than those found in the general population. Comparison with the two previous population-based studies shows the ascertained rates were broadly similar to those reported by Corbett but higher than those reported by Lund. Adults with more severe learning disabilities had higher rates of additional psychiatric disorders.

  Conclusions: The results may be explained by a combination of the genetic, physical, psychological and social factors associated with learning disabilities also being aetiological to psychiatric disorders. The high prevalence rates of psychiatric disorders demonstrate the importance of health service provision for adults with learning disabilities.

  摘要目的：确定有学习障碍的成年人中精神病的患病率，以及与学习障碍严重程度的关系：确定有学习障碍的成年人中精神病的患病率以及与学习障碍严重程度的关系：研究以人群为基础。由一名学习障碍精神科医生使用 "目前精神状态--学习障碍 "和 "残疾评估表 "对居住在英国莱斯特郡的 207 名学习障碍成人进行了详细的精神评估。诊断标准定义明确。使用文兰量表（调查表）进行了发育评估：结果：49.2%的患者患有精神障碍，大多数患者的精神障碍发病率高于普通人群。与之前两项基于人群的研究相比，发现的比率与 Corbett 的报告大致相似，但高于 Lund 的报告。有更严重学习障碍的成年人患其他精神疾病的比例更高：这些结果可以解释为与学习障碍相关的遗传、生理、心理和社会因素也是导致精神疾病的病因。精神病的高发病率表明，为有学习障碍的成年人提供医疗服务非常重要。
• Changes in mechanism and transition state structure for solvolysis reactions of ring substituted benzyl chlorides in aqueous solution
  作者：Paul E. Yeary、John P. Richard

  DOI：10.1002/poc.4600

  日期：——

  Rate and product data are reported for the solvolysis reactions of 27 mono, di [3,4] and tri [3,4,5] ring‐substituted benzyl chlorides. The first order rate constant for solvolysis in 20% acetonitrile in water decrease from ksolv = 2.2 s−1 for 4‐methoxybenzyl chloride to 1.1 × 10−8 s−1 for 3,4‐dinitrobenzyl chloride. The product rate constant ratios kMeOH/kTFE for solvolysis in 70/27/3 (v/v/v) HOH/TFE/MeOH

  报告了 27 种单、二 [3,4] 和三 [3,4,5] 环取代的苄基氯的溶剂分解反应的速率和产物数据。 20% 乙腈水溶液中溶剂分解的一级速率常数从k解决= 2.2 秒−1 4-甲氧基苄基氯为 1.1 × 10 −8 s −1为3,4-二硝基氯苄。产物速率常数比k甲醇/ k四氟乙烯对于 70/27/3 (v/v/v) HOH/TFE/MeOH 范围内的溶剂分解，最低为k甲醇/ k四氟乙烯= 8 到最大 110。速率数据符合四参数哈米特方程，该方程分离了芳环取代基对反应速率的共振 () 和极性 () 影响。随着取代基常数 或 的增加，观察到哈米特反应常数 和 的值的增加。产品选择性急剧下降k甲醇/ k四氟乙烯= 26 4-甲氧基苄基氯的逐步溶剂分解被观察为吸电子元-由于溶剂加成到取代的 4-甲氧基苯甲基碳阳离子反应中间体的过渡态位置上的哈蒙德效应，取代基被添加到 4-甲氧基苯甲基环上。 选择性急剧增加k甲醇/