5,8-dimethyl-1,4-dihydroxyantraquinone | 170685-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5,8-dimethyl-1,4-dihydroxyantraquinone
• 英文别名: 1,4-dihydroxy-5,8-dimethyl-anthraquinone；1,4-Dihydroxy-5,8-dimethyl-anthrachinon；1,4-Dihydroxy-5,8-dimethylanthracene-9,10-dione
• CAS: 170685-35-5
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: YTIPACUJHHQUKN-UHFFFAOYSA-N

物化性质

• 熔点：
  252-253 °C
• 沸点：
  528.4±50.0 °C(Predicted)
• 密度：
  1.423±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,8-dimethyl-1,4-dihydroxyantraquinone 在 lead(IV) acetate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 溶剂黄146 、 丙酮 为溶剂， 反应 66.0h， 生成
  参考文献：
  名称：

  Enantioselective synthesis of (+)-4-Demethoxy-1,4-Dimethyldaunomycinone

  摘要：

  +)-4-Demethoxy-1,4-dimethyldaunomycinone 1 was synthesized using a convergent approach. Here, the key tetracyclic compound 10 was assembled by way of a Diels-Alder reaction using the sugar-based diene 8 and the quinizarin-related dienophile 7. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00316-9
• 作为产物：
  描述：

  4,7-dimethyl-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione 在 三氯化铝 、 硫酸 、 sodium chloride 作用下， 生成 5,8-dimethyl-1,4-dihydroxyantraquinone
  参考文献：
  名称：

  Enantioselective synthesis of (+)-4-Demethoxy-1,4-Dimethyldaunomycinone

  摘要：

  +)-4-Demethoxy-1,4-dimethyldaunomycinone 1 was synthesized using a convergent approach. Here, the key tetracyclic compound 10 was assembled by way of a Diels-Alder reaction using the sugar-based diene 8 and the quinizarin-related dienophile 7. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00316-9

文献信息

• Predictions of strontium accommodation in A₂B₂O₇ pyrochlores
  作者：Mohsin Pirzada、Robin W. Grimes、John Maguire、Kurt Sickafus

  DOI：10.1557/jmr.2002.0302

  日期：2002.8

  A₂B₂O₇ pyrochlore oxides are being considered as potential host materials for the immobilization of fission products. It is therefore important to establish the relative ability of these compounds to accommodate fission product ions. We address this issue by using computer simulations to predict the structures and relative equilibrium energies associated with solution of Sr²⁺ over an extensive compositional range. Results indicate that strontium is accommodated via substitution for A host cations with oxygen vacancy compensation. This results in a nonstoichiometric composition. Optimum compositions and defect clusters structures are identified by constructing contour energy maps.

  A2B2O7 烧绿石氧化物被认为是固定裂变产物的潜在宿主材料。因此，确定这些化合物容纳裂变产物离子的相对能力非常重要。为了解决这个问题，我们使用计算机模拟来预测与 Sr2+ 溶液相关的结构和相对平衡能量，其组成范围很广。结果表明，锶是通过氧空位补偿来替代 A 主阳离子的。这导致了一种非化学计量成分。通过构建等值线能量图，确定了最佳成分和缺陷簇结构。
• Arbusow; Nikanorow, Zhurnal Obshchei Khimii, 1940, vol. 10, p. 650,652
  作者：Arbusow、Nikanorow

  DOI：——

  日期：——
• Arbusow; Nikanorow, Zhurnal Obshchei Khimii, vol. 10, p. 651
  作者：Arbusow、Nikanorow

  DOI：——

  日期：——
• Enantioselective synthesis of (+)-4-Demethoxy-1,4-Dimethyldaunomycinone
  作者：Sambasivarao Kotha、Richard J. Stoodley

  DOI：10.1016/s0968-0896(01)00316-9

  日期：2002.3

  +)-4-Demethoxy-1,4-dimethyldaunomycinone 1 was synthesized using a convergent approach. Here, the key tetracyclic compound 10 was assembled by way of a Diels-Alder reaction using the sugar-based diene 8 and the quinizarin-related dienophile 7. (C) 2002 Elsevier Science Ltd. All rights reserved.