3,4-dihydro-1H-anthracen-2-one | 176236-91-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3,4-dihydro-1H-anthracen-2-one
• 英文别名: 3,4-Dihydro-1H-anthracen-2-on；2-Oxo-1.2.3.4-tetrahydro-anthracen；3,4-dihydro-1H-anthracen-2-one
• CAS: 176236-91-2
• 化学式: C₁₄H₁₂O
• 分子量: 196.249
• InChiKey: CQNLHOCTWMJACH-UHFFFAOYSA-N

物化性质

• 沸点：
  380.7±31.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-蒽磺酸 在 sodium hydroxide 、 氢气 、 镍 、 萘烷 作用下， 生成 3,4-dihydro-1H-anthracen-2-one
  参考文献：
  名称：

  v. Braun; Bayer, Justus Liebigs Annalen der Chemie, 1929, vol. 472, p. 104

  摘要：

  DOI：

文献信息

• Enantioselectivity in the reduction of tricyclic hydroaromatic ketones by baker's yeast
  作者：Gabriele Fontana、Paolo Manitto、Giovanna Speranza、Simona Zanzola

  DOI：10.1016/s0957-4166(98)00111-6

  日期：1998.4

  Three benzo-2-tetralones were hydrogenated to the corresponding alcohols by non-fermenting baker's yeast. Satisfactory yields but modest enantioselectivities were observed. The prevalent enantioform of the benzo-2-tetralol was found to be in agreement with the predictive abstract model previously proposed for the enzymatic hydrogenation of aromatic ring substituted 2-tetralones.

  通过非发酵面包酵母将三种苯并-2-四氢萘酮氢化为相应的醇。令人满意的产率，但是观察到适度的对映选择性。发现苯并-2-戊醇的普遍对映体与先前提出的用于芳香环取代的2-四氢萘酮的酶促氢化的预测抽象模型相符。
• Boyland; Levy, Biochemical Journal, 1935, vol. 29, p. 2679,2682
  作者：Boyland、Levy

  DOI：——

  日期：——
• Compounds and Methods of Use Thereof for Treating Tumors
  申请人：Georgetown University

  公开号：US20150344440A1

  公开（公告）日：2015-12-03

  The invention encompasses novel compounds and pharmaceutically acceptable salts thereof and compositions including therapeutically or prophylactically effective amounts of such compounds or pharmaceutically acceptable salts thereof. The invention also encompasses methods for treating or preventing diseases and disorders associated with abnormal cell growth, for example, treating or preventing cancer or tumor growth, which methods include administering to a mammal in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound of the invention or a pharmaceutically acceptable salt thereof.
• US9695108B2
  申请人：——

  公开号：US9695108B2

  公开（公告）日：2017-07-04
• v. Braun; Bayer, Justus Liebigs Annalen der Chemie, 1929, vol. 472, p. 104
  作者：v. Braun、Bayer

  DOI：——

  日期：——