1-(3,4,5-trideuteriophenyl)ethanone | 104385-14-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,4,5-trideuteriophenyl)ethanone
• CAS: 104385-14-0
• 化学式: C₈H₈O
• 分子量: 123.127
• InChiKey: KWOLFJPFCHCOCG-NRUYWUNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  4-溴苯乙酮 生成 1-(3,4,5-trideuteriophenyl)ethanone
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Cp*Co(III)‐Catalyzed C−H Alkenylation of Aromatic Ketones with Alkenes
  作者：Md Raja Sk、Sourav Sekhar Bera、Modhu Sudan Maji

  DOI：10.1002/adsc.201801385

  日期：2019.2

  Cost‐effective and air‐stable high‐valent cobalt(III)‐catalyzed weakly coordinating, ketone‐directed regioselective mono‐alkenylation of arenes and heteroarenes with alkenes is demonstrated. Various electron‐rich and electron‐deficient arenes are tolerated under the reaction conditions, providing E‐alkenylated products exclusively. The tert‐butyl‐acrylates serve as an acrylic acid surrogate to provide

  证明了具有成本效益且空气稳定的高价钴（III）催化的芳烃和杂芳烃与烯烃的弱配位，酮导向的区域选择性单烯基化反应。在反应条件下可耐受各种富电子和缺电子的芳烃，仅提供E烯基化产物。的叔丁基丙烯酸酯用作丙烯酸替代，以提供经由直接C-H烯基肉桂酸衍生物。据报道，有γ- PPAR拮抗剂的两步合成，茚满酮的合成和二乙烯基砜的修饰。机理细节表明碱基辅助的分子间亲电取代反应途径。
• Control of Product Selectivity by a Styrene Additive in Ruthenium-Catalyzed C−H Arylation
  作者：Shun Hiroshima、Daiki Matsumura、Takuya Kochi、Fumitoshi Kakiuchi

  DOI：10.1021/ol102325f

  日期：2010.11.19

  A unique effect of styrene additive on product selectivity was observed for RuH2(CO)(PPh3)3-catalyzed C−H arylation of acetophenone derivatives bearing two ortho C−H bonds. Without styrene, the C−H arylation with arylboronates gives diarylation products as the major products throughout the reaction, but the use of styrene as an additive switches the product selectivity and leads to selective formation

  在RuH 2（CO）（PPh 3）3催化带有两个邻位CH键的苯乙酮衍生物的CHH芳基化反应中，可以观察到苯乙烯添加剂对产物选择性的独特影响。在没有苯乙烯的情况下，与芳基硼酸酯发生的CH芳基化反应将二芳基化产物作为整个反应的主要产物，但是使用苯乙烯作为添加剂会切换产物选择性，并导致选择性形成单芳基化产物。
• The Synthesis of Highly Active Iridium(I) Complexes and their Application in Catalytic Hydrogen Isotope Exchange
  作者：Jack A. Brown、Alison R. Cochrane、Stephanie Irvine、William J. Kerr、Bhaskar Mondal、John A. Parkinson、Laura C. Paterson、Marc Reid、Tell Tuttle、Shalini Andersson、Göran N. Nilsson

  DOI：10.1002/adsc.201400730

  日期：2014.11.24

  AbstractA series of robust iridium(I) complexes bearing a sterically encumbered N‐heterocyclic carbene ligand, alongside a phosphine ligand, has been synthesised and investigated in hydrogen isotope exchange processes. These complexes have allowed isotope incorporation over a range of substrates with the use of practically convenient deuterium and tritium gas. Moreover, these active catalysts are capable of isotope incorporation to particularly high levels, whilst employing low catalyst loadings and in short reaction times. In addition to this, these new catalyst species have shown flexible levels of chemoselectivity, which can be altered by simple manipulation of preparative approaches. Furthermore, a number of industrially‐relevant drug molecules has also been labelled, including the sulfonamide containing drug, Celecoxib. Alongside detailed NMR experiments, initial mechanistic investigations have also been performed, providing insight into both substrate binding energies, and, more importantly, relative energies of key steps in the mechanistic cycle as part of the overall exchange process.magnified image
• Cobalt-Catalyzed <i>Ortho</i>-Arylation of Aromatic Imines with Aryl Chlorides
  作者：Ke Gao、Pin-Sheng Lee、Chong Long、Naohiko Yoshikai

  DOI：10.1021/ol301934y

  日期：2012.8.17

  An ortho-arylation reaction of aromatic imines with aryl chlorides has been achieved using a cobalt N-heterocyclic carbene catalyst in combination with a neopentyl Grignard reagent. The reaction takes place at room temperature to afford biaryl products in moderate to good yields.
• ——
  作者：TASIRO MASASI、 NAKAYAMA MITSUXARU、 NAKAMURA XIROSI、 AOKI YUITI、 TAKIKAVA +

  DOI：——

  日期：——