4,4-dimethyl-octan-2-one | 49585-97-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4-dimethyl-octan-2-one
• 英文别名: 4,4-Dimethyl-octan-2-on；2-Octanone, 4,4-dimethyl-；4,4-dimethyloctan-2-one
• CAS: 49585-97-9
• 化学式: C₁₀H₂₀O
• 分子量: 156.268
• InChiKey: CTKGADHXPGQCCX-UHFFFAOYSA-N

物化性质

• 沸点：
  62-64 °C(Press: 7 Torr)
• 密度：
  0.8256 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  4,4-dimethyl-octan-2-one 生成 4,4-dimethyl-octan-2-one semicarbazone
  参考文献：
  名称：

  Nasarow; Krasnaja, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1958, p. 870,876;engl.Ausg.S.844,849

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-3戊烯-2-酮 以55%的产率得到
  参考文献：
  名称：

  YAMAMOTO, YOSHINORI;YAMAMOTO, SINICHI;YATAGAI, HIDETAKA;ISHIHARA, YUJI;MA+, J. ORG. CHEM., 1982, 47, N 1, 119-126

  摘要：

  DOI：

文献信息

• Distal γ‐C(sp ³ )−H Olefination of Ketone Derivatives and Free Carboxylic Acids
  作者：Han Seul Park、Zhoulong Fan、Ru‐Yi Zhu、Jin‐Quan Yu

  DOI：10.1002/anie.202003271

  日期：2020.7.27

  Reported herein is the distal γ‐C(sp3)−H olefination of ketone derivatives and free carboxylic acids. Fine tuning of a previously reported imino‐acid directing group and using the ligand combination of a mono‐N‐protected amino acid (MPAA) and an electron‐deficient 2‐pyridone were critical for the γ‐C(sp3)−H olefination of ketone substrates. In addition, MPAAs enabled the γ‐C(sp3)−H olefination of free carboxylic

  本文报道了酮衍生物和游离羧酸的远端γ-C(sp 3 )-H烯化。微调先前报道的亚氨基酸导向基团并使用单N保护氨基酸（MPAA）和缺电子2-吡啶酮的配体组合对于γ-C(sp 3 )-H烯化至关重要酮底物。此外，MPAA 能够使游离羧酸发生 γ-C(sp 3 )-H 烯化反应，形成多种六元内酯。除了烷基羧酸之外，苄基 C(sp 3 )−H 键也可以通过 2-甲基苯甲酸衍生物一步功能化形成 3,4-二氢异香豆素结构。这些方案的实用性在大规模反应和 γ-C(sp 3 )−H 烯化产物的多样化中得到了证明。
• PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES
  申请人：Blumberg Laura Cook

  公开号：US20110319422A1

  公开（公告）日：2011-12-29

  The invention provides a method of sustained delivery of a lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug by administering to a patient an effective amount of a prodrug compound of the invention wherein upon administration to the patient, release of the parent drug from the prodrug is sustained release. Prodrug compounds suitable for use in the methods of the invention are labile conjugates of parent drugs that are derivatized through carbonyl linked prodrug moieties. The prodrug compounds of the invention can be used to treat any condition for which the lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug is useful as a treatment.

  该发明提供了一种持续释放内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药的方法，通过向患者施用该发明的一种前药化合物的有效量，在向患者施用后，从前药中释放母药是持续释放的。适用于该发明方法的前药化合物是母药的不稳定结合物，通过羰基连接的前药基团进行衍生化。该发明的前药化合物可用于治疗任何需要内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药作为治疗的情况。
• Organocopper reagents in dimethyl sulfide
  作者：Steven H. Bertz、Gary Dabbagh

  DOI：10.1016/0040-4020(89)80070-5

  日期：1989.1

  Organocopper(I) reagents, RCu, are both more stable and more reactive when prepared in dimethyl sulfide instead of ether or tetrahydrofuran. A wide range of Li reagents has been investigated with good results, as has a selection of Grignard reagents. Excellent yields of products are observed with typical substrates such as α,β-unsaturated ketones and acid chlorides.

  用二甲基硫醚代替醚或四氢呋喃制备有机铜（I）试剂RCu既更稳定，也更具反应性。已经研究了多种Li试剂，以及精选的Grignard试剂，均取得了良好的效果。使用典型的底物，例如α，β-不饱和酮和酰氯，可以观察到极好的产品收率。
• Organomanganese (II) reagents XVI1: copper-catalyzed 1,4-addition of organomanganese chlorides to conjugated enones
  作者：Gérard Cahiez、Mouad Alami

  DOI：10.1016/s0040-4039(00)99434-6

  日期：1989.1

  Copper-catalyzed conjugate addition of organomanganese chlorides to conjugated enones in THF, at 0°C, leads to the 1,4 addition products in high yields. The scope of the reaction is very large and the results are generally better than those obtained from organomagnesium compounds in the presence of a copper salt as well as from organocopper or cuprate reagents. Furthermore organomanganese chlorides are indisputably

  在0℃下，铜催化的有机锰氯化物在THF中的共轭烯酮的共轭加成反应，可高产率地产生1,4加成产物。该反应的范围非常大，其结果通常比在铜盐以及有机铜或铜酸盐试剂存在下从有机镁化合物获得的结果更好。此外，有机锰氯化物无疑比后者更便宜，更稳定。
• Reactions of stoichiometric higher order, mixed lithio magnesio organocuprates
  作者：Bruce H. Lipshutz、David A. Parker、Sam L. Nguyen、Keith E. McCarthy、John C. Barton、Scott E. Whitney、Hiyoshizo Kotsuki

  DOI：10.1016/s0040-4020(01)90576-9

  日期：1986.1

  2-lithiothiophene and RMgX. Reactions of various members of this new class of reagents are described, including substitution and conjugate addition processes, where the ligand derived from the Grignard reagent is selectively transferred. The effects of added BF3.Et2O are discussed. Some comparison reactions with the corresponding lower order reagents, RCu(CN)MgBr, have also been carried out. Evidence is presented

  新型高阶铜酸盐R（2-噻吩基）Cu（CN）LiMgBr（2）由CuCN，2-硫代噻吩和RMgX的1：1：1组合制备。描述了这种新型试剂的各种成员的反应，包括取代和缀合物添加过程，其中选择性转移了来自格氏试剂的配体。讨论了添加BF 3 .Et 2 O的影响。还进行了与相应的低阶试剂RCu（CN）MgBr的比较反应。提出的证据表明，与二硫代类似物不同，物种2不是离散的。