2-乙基萘-1,4-二醇 | 34987-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-乙基萘-1,4-二醇
• 英文名称: 2-ethylnaphthalene-1,4-diol
• 英文别名: 2-Ethyl-1,4-dihydroxynaphthalin；2-Aethyl-naphthalin-1,4-diol；1.4-Dihydroxy-2-aethyl-naphthalin；2-Ethyl-1,4-naphthalenediol
• CAS: 34987-32-1
• 化学式: C₁₂H₁₂O₂
• 分子量: 188.226
• InChiKey: LYIJEYBEBVILKC-UHFFFAOYSA-N

物化性质

• 熔点：
  144-145 °C
• 沸点：
  399.8±22.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  2-乙基萘-1,4-二醇 在 chromium(VI) oxide 、 溶剂黄146 、 锌 作用下， 生成 2-ethyl-1,4-naphthalenediyl diacetate
  参考文献：
  名称：

  Sah, Recueil des Travaux Chimiques des Pays-Bas, 1940, vol. 59, p. 1029,1034

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-二羟基萘 在 二硫化碳 、 氢氧化钾 、 三氯化铝 作用下， 生成 2-乙基萘-1,4-二醇
  参考文献：
  名称：

  Sah, Recueil des Travaux Chimiques des Pays-Bas, 1940, vol. 59, p. 1029,1034

  摘要：

  DOI：

文献信息

• [EN] NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS<br/>[FR] DÉRIVÉS DE NAPHTOQUINONE POUR LE TRAITEMENT DE TROUBLES DU STRESS OXYDATIF
  申请人：PTC THERAPEUTICS INC

  公开号：WO2020252414A1

  公开（公告）日：2020-12-17

  Disclosed herein are naphthoquinone derivative compounds of the formula shown below, compositions thereof, and methods of using such compounds and compositions for treating or suppressing oxidative stress disorders and/or neurodegenerative disorders and/or for inhibiting ferroptosis.

  本文披露了下述结构式的萘醌衍生物化合物，以及这些化合物的组合物和使用这些化合物和组合物治疗或抑制氧化应激性疾病和/或神经退行性疾病和/或抑制铁死亡的方法。
• Stereoselective [4+2] Cycloaddition of Singlet Oxygen to Naphthalenes Controlled by Carbohydrates
  作者：Marcel Bauch、Werner Fudickar、Torsten Linker

  DOI：10.3390/molecules26040804

  日期：——

  peroxides are often too labile for isolation or further transformations into enantiomerically pure products. Herein, we describe the oxidation of naphthalenes by singlet oxygen, where the face selectivity is controlled by carbohydrates for the first time. The synthesis of the precursors is easily achieved starting from naphthoquinone and a protected glucose derivative in only two steps. Photooxygenations

  单重态氧的立体选择反应是当前关注的。由于尚未有效地实现对映选择性光氧化，因此辅助控制是有吸引力的选择。然而，所获得的过氧化物通常太不稳定以至于不能分离或进一步转化为对映体纯产物。在本文中，我们描述了单线态氧对萘的氧化，其中面部选择性首次由碳水化合物控制。从萘醌和受保护的葡萄糖衍生物仅需两个步骤即可轻松实现前体的合成。在低温下，光氧合反应平稳进行，我们通过NMR检测到相应的内过氧化物为唯一产物。它们不稳定，可以热反应回母体萘和单线态氧。然而，我们可以分离和表征两种对映体纯的过氧化物，它们在室温下足够稳定。已经发现取代基对光氧化的立体选择性有有趣的影响，范围从51:49到最高91：9博士（非对映体比率）。我们通过碳水化合物取代基的旋转受阻来解释这一点，并结合了NOESY测量值和理论计算结果。最后，我们可以将手性信息从纯的内过氧化物转移至环氧化物，该环氧化物在拆分为对映体纯形式的糖性手性助剂后被分离出来。
• Naphthoquinones of the Vitamin K₁ Type of Structure
  作者：Louis F. Fieser、William P. Campbell、Edward M. Fry、Marshall D. Gates

  DOI：10.1021/ja01266a068

  日期：1939.11
• The Scaling of Mixed-Item-Format Tests With the One-Parameter and Two-Parameter Partial Credit Models
  作者：Robert C. Sykes、Wendy M. Yen

  DOI：10.1111/j.1745-3984.2000.tb01084.x

  日期：2000.9

  Item response theory scalings were conducted for six tests with mixed item formats. These tests differed in their proportions of constructed response (c.r.) and multiple choice (m.c.) items and in overall difficulty. The scalings included those based on scores for the c.r. items that had maintained the number of levels as the item rubrics, either produced from single ratings or multiple ratings that were averaged and rounded to the nearest integer, as well as scalings for a single form of c.r. items obtained by summing multiple ratings. A one‐parameter (IPPC) or two‐parameter (2PPC) partial credit model was used for the c.r. items and the one‐parameter logistic (IPL) or three‐parameter logistic (3PL) model for the m.c. items, ltem fit was substantially worse with the combination IPL/IPPC model than the 3PL/2PPC model due to the former's restrictive assumptions that there would be no guessing on the m.c. items and equal item discrimination across items and item types. The presence of varying item discriminations resulted in the IPL/IPPC model producing estimates of item information that could be spuriously inflated for c.r. items that had three or more score levels. Information for some items with summed ratings were usually overestimated by 300% or more for the IPL/IPPC model. These inflated information values resulted in under‐estbnated standard errors of ability estimates. The constraints posed by the restricted model suggests limitations on the testing contexts in which the IPL/IPPC model can be accurately applied.
• Process for the manufacture of 2-alkyl-3-phytyl-1, 4-naphthoquinones
  申请人：JOHN LEE

  公开号：US02301890A1

  公开（公告）日：1942-11-10