1-(9-anthryl)-2,2-dimethylpropanone | 109688-18-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(9-anthryl)-2,2-dimethylpropanone
• 英文别名: tert-butyl 9-anthryl ketone；9-pivaloylanthracene；1-[9]anthryl-2,2-dimethyl-propan-1-one；1-[9]Anthryl-2,2-dimethyl-propan-1-on；1-(Anthracen-9-YL)-2,2-dimethylpropan-1-one；1-anthracen-9-yl-2,2-dimethylpropan-1-one
• CAS: 109688-18-8
• 化学式: C₁₉H₁₈O
• 分子量: 262.351
• InChiKey: QHKSNRVZCMKJNS-UHFFFAOYSA-N

物化性质

• 沸点：
  425.8±14.0 °C(Predicted)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  20
• 可旋转键数：
  2
• 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

• 作为反应物：
  描述：

  1-(9-anthryl)-2,2-dimethylpropanone 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.33h， 以92%的产率得到1-(9-anthryl)-tert-butyl carbinol
  参考文献：
  名称：

  Preparation of homochiral 9-anthryl-tert-butylcarbinol. The configurational and conformational NMR study of its carbamate derivatives

  摘要：

  The homochiral carbamates of 9-anthryl-tert-butylcarbinol were prepared and their conformational equilibrium was studied. The absolute configuration was determined by comparison of the NMR data with MM calculations. The enantiomers of the alcohol were obtained after chromatographic separation of carbamate derivatives and their hydrolysis. The same homochiral alcohols were prepared by direct chiral column chromatography.

  DOI：

  10.1016/0957-4166(95)00164-k
• 作为产物：
  描述：

  蒽 、 三甲基乙酰氯 在 碘 作用下， 反应 0.17h， 以88%的产率得到1-(9-anthryl)-2,2-dimethylpropanone
  参考文献：
  名称：

  Gopalakrishnan, Geetha; Anandhi; Narasimhan, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 11, p. 1197 - 1198

  摘要：

  DOI：

文献信息

• MULTI-RING COMPOUNDS AND USES THEREOF
  申请人：Ohler Norman E.

  公开号：US20100249111A1

  公开（公告）日：2010-09-30

  Chemical agents, such as derivatives of hydroxy benzene moieties, and similar heterocyclic ring structures, including salts thereof, that act as anti-cancer and anti-tumor agents, especially where such agents modulate the activity of enzymes and structural polypeptides present in cells, such as cancer cells, or where the agents modulate levels of gene expression in cellular systems, including cancer cells, are disclosed, along with methods for preparing such agents, as well as pharmaceutical compositions containing such agents as active ingredients and methods of using these as therapeutic agents.

  本发明涉及化学制剂，例如羟基苯基衍生物及类似的杂环环结构，包括其盐，其作为抗癌和抗肿瘤制剂，特别是这些制剂调节细胞中的酶和结构多肽的活性，例如癌细胞，或这些制剂调节细胞系统中的基因表达水平，包括癌细胞等。本发明还涉及制备这些制剂的方法，以及包含这些制剂作为活性成分的制药组合物和使用这些制剂作为治疗剂的方法。
• Sridharan, Anandhi; Gopalakrishnan, Geetha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011, vol. 50, # 9, p. 1192 - 1195
  作者：Sridharan, Anandhi、Gopalakrishnan, Geetha

  DOI：——

  日期：——
• Gopalakrishnan, Geetha; Anandhi; Narasimhan, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 11, p. 1194 - 1196
  作者：Gopalakrishnan, Geetha、Anandhi、Narasimhan

  DOI：——

  日期：——
• Highly Effective Transition Structure Designed Catalyst for the Enantio<i>- </i>and Position<i>-</i>Selective Dihydroxylation of Polyisoprenoids
  作者：E. J. Corey、Junhu Zhang

  DOI：10.1021/ol016577i

  日期：2001.10.1

  GRAPHICSThe chiral monocinchona derivative shown, synthesized in one step from two efficiently prepared chiral building blocks, was designed under mechanistic guidance as a catalyst for the enantio- and position-selective dihydroxylation of the terminal isopropylidene group of polylsoprenoids. Its efficacy as a synthetic reagent for this purpose was demonstrated for several different substrates.
• Hydroxypiperidine Derivatives and Uses Thereof
  申请人：Ohler Norman E.

  公开号：US20090036429A1

  公开（公告）日：2009-02-05

  Chemical agents, such as derivatives of hydroxypiperidine moieties, and similar heterocyclic ring structures, including salts thereof, that act as anti-cancer and anti-tumor agents, especially where such agents modulate the activity of enzymes and structural polypeptides present in cells, such as cancer cells, or where the agents modulate levels of gene expression in cellular systems, including cancer cells, are disclosed, along with methods for preparing such agents, as well as pharmaceutical compositions containing such agents as active ingredients and methods of using these as therapeutic agents.