2,2-dimethyl-3-oxo-3-(4'-nitrophenyl)propionaldehyde | 1750-75-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-3-oxo-3-(4'-nitrophenyl)propionaldehyde
• 英文别名: α-<4-Nitro-benzoyl>-isobutyraldehyd；2-(p-Nitrobenzoyl)-isobutyraldehyd；2,2-Dimethyl-3-(4-nitrophenyl)-3-oxopropanal
• CAS: 1750-75-0
• 化学式: C₁₁H₁₁NO₄
• 分子量: 221.213
• InChiKey: WIDKEAKYXMCVQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  80
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-3-oxo-3-(4'-nitrophenyl)propionaldehyde 在 乙基溴化镁 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 2,2-dimethyl-1-(4'-nitrophenyl)pent-4-yne-1,3-dione
  参考文献：
  名称：

  EPR光谱测定电子取代基对由1,3-二-和1,3,5-三亚甲基苯铁磁连接的局域1,3-环戊二基自旋载带单元组成的烃多基团（五重态和septet自旋态）D值的影响耦合器

  摘要：

  母体和对硝基苯基取代的双自由基D-3a，b（三重峰），四自由基T-3a，b（五重峰）和六自由基H-3a，b（九重峰）以基质分离的形式（甲苯，77 K）通过三偶氮烷3a，b的连续脱氮和EPR进行光谱表征。在这些高自旋多自由基中，局部自旋携带的1，3-环戊二基二自由基单元中的自旋-自旋相互作用比交叉共轭铁磁耦合单元中的自旋-自旋相互作用强得多。因此，环戊二基单元中电子性质的变化决定性地影响整个多自由基的D值。因此，自旋接受的对硝基基团以与双自由基相同的量减少四和六自由基的D值。因此，无论自旋多重性如何，

  DOI：

  10.1021/jo0012795
• 作为产物：
  描述：

  4-(2-甲基丙-1-烯基)吗啉 、 4-硝基苯甲酰氯 生成 2,2-dimethyl-3-oxo-3-(4'-nitrophenyl)propionaldehyde
  参考文献：
  名称：

  Preparation of .beta.-oxo aldehydes by acylation of aldehyde enamines

  摘要：

  DOI：

  10.1021/jo01288a032

文献信息

• 1,4-Carbonyl participation in solvolysis of alkyl toluene-p-sulphonates
  作者：Philip K. G. Hodgson、Stuart Warren

  DOI：10.1039/p29750000372

  日期：——

  2,2-Dimethyl-3-oxo-3-phenylpropyl toluene-p-sulphonate (tosylate) and some related 3-oxoalkyl tosylates are solvolysed in buffered carboxylic acid solvents by 1,4-carbonyl participation to give unrearranged carboxylate esters. The reactions are too fast to be direct displacements, and do not occur in similar compounds which lack the carbonyl group. Secondary alkyl tosylates in the same series also

  2，2-二甲基-3-氧代-3-苯基丙基甲苯对磺酸酯（甲苯磺酸酯）和一些相关的3-氧代烷基甲苯磺酸酯通过1，4-羰基参与溶剂化在缓冲的羧酸溶剂中，得到未重排的羧酸酯。该反应太快而不能直接取代，并且在缺少羰基的类似化合物中不会发生。同一系列的仲烷基甲苯磺酸盐也通过1,4-羰基参与反应，但发生中间阳离子片段，并与溶剂反应生成未重排的产物。
• Selective Aldehyde Reduction in Ketoaldehydes with NaBH₄-Na₂CO₃-H₂O at Room Temperatures
  作者：Sosale Chandrasekhar、Annadka Shrinidhi

  DOI：10.1080/00397911.2014.888751

  日期：2014.7.18

  A variety of aliphatic and aromatic ketoaldehydes were reduced to the corresponding ketoalcohols with a mixture of sodium borohydride (1.2 equivalents) and sodium carbonate (sixfold molar excess) in water. Reactions were performed at room temperatures over (typically) 2 h, and yields of isolated products generally ranged from 70% to 85%. A biscarbonate-borane complex, [(BH3)(2)CO2](2-) 2Na(+), possibly formed from the reagent mixture, is likely the active reductant. The moderated reactivity of this acylborane species would explain the chemoselectivity observed in the reactions. The readily available reagents and the mild aqueous conditions make for ease of operation and environmental compatibility, and make a useful addition to available methodology.
• US7470722B2
  申请人：——

  公开号：US7470722B2

  公开（公告）日：2008-12-30
• [EN] MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE<br/>[FR] COMPOSES SULFONAMIDE MULTICYCLIQUES INHIBANT L'HISTONE DESACETYLASE POUR LE TRAITEMENT DE MALADIE
  申请人：KALYPSYS INC

  公开号：WO2005123089A2

  公开（公告）日：2005-12-29

  Disclosed herein are carbonyl compounds of Formula (I) as described herein. Methods and compositions are disclosed for treating disease states including, but not limited to cancers, autoimmune diseases, tissue damage, central nervous system disorders, neurodegenerative disorders, fibrosis, bone disorders, polyglutamine-repeat disorders, anemias, thalassemias, inflammatory conditions, cardiovascular conditions, and disorders in which angiogenesis play a role in pathogenesis, using the compounds of the invention. In addition, methods of modulating the activity of histone deacetylase (HDAC) are also disclosed.
• Preparation of .beta.-oxo aldehydes by acylation of aldehyde enamines
  作者：Takashi Inukai、Ryo Yoshizawa

  DOI：10.1021/jo01288a032

  日期：1967.2