3-(3,4-二甲基苯基)-1-苯基-1-丙酮 | 898755-52-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 3-(3,4-二甲基苯基)-1-苯基-1-丙酮
• 英文名称: 3-(3,4-dimethylphenyl)-1-phenylpropan-1-one
• 英文别名: 3-(3,4-Dimethylphenyl)propiophenone
• CAS: 898755-52-7
• 化学式: C₁₇H₁₈O
• 分子量: 238.329
• InChiKey: GVXMPQSGOCWYDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914399090

反应信息

• 作为产物：
  描述：

  苏合香醇 在 Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H₂O) 、 caesium carbonate 作用下， 以 2-甲基-2-丁醇 为溶剂， 反应 12.0h， 生成 3-(3,4-二甲基苯基)-1-苯基-1-丙酮
  参考文献：
  名称：

  Synthesis of a-Alkylated Ketones via Tandem Acceptorless Dehydrogenation/a-Alkylation from Secondary and Primary Alcohols Catalyzed by Metal–Ligand Bifunctional Iridium Complex [Cp*Ir(2,2′-bpyO)(H₂O)]

  摘要：

  A new strategy for the synthesis of alpha-alkylated ketones via tandem acceptorless dehydrogenation/alpha-alkylation from secondary and primary alcohols was proposed and accomplished. In the presence of metal-ligand bifunctional iridium complex [Cp*Ir(2,2'-bpyO)(H2O)], various desirable products were obtained in high yields. Compared with previous methods for the direct dehydrogenative coupling of secondary alcohols with primary alcohols to alpha-alkylated ketones, this protocol has obvious advantages including complete selectivity for alpha-alkylated ketones and more environmentally benign conditions. Notably, the study also exhibited the potential to develop tandem reactions catalyzed using a metal-ligand bifunctional iridium complex.

  DOI：

  10.1021/acs.joc.5b01975

文献信息

• 一种合成α-烷基酮的方法
  申请人：南京理工大学

  公开号：CN104557500B

  公开（公告）日：2016-05-18

  本发明公开了一种合成α-烷基酮的方法。在反应容器中，加入炔烃、[(IPr)AuCl]、AgOTf、1,4-二氧六环和水，反应混合物在120oC下微波反应1小时后，冷却到室温；再向其中加入[Cp*IrCl2]2、碱和醇，反应混合物在130oC下微波反应2小时后，冷却到室温；过滤，旋转蒸发除去溶剂，然后通过柱分离，得到目标化合物。本发明从容易获得的化工原料炔，水和醇出发，在金和铱催化剂的参与下，得到的α-烷基酮，反应只生成水作为副产物；因此，该反应符合绿色化学的要求，具有广阔的发展前景。
• Pyrazole–pyridine–pyrazole (NNN) ruthenium(<scp>ii</scp>) complex catalyzed acceptorless dehydrogenation of alcohols to aldehydes
  作者：Yinyin Chen、Tianhua Cui、Hua Chen、Xue li Zheng、Haiyan Fu、Ruixiang Li

  DOI：10.1039/d3dt01430d

  日期：——

  A new series of cationic ruthenium(II) complexes, [RuCl(PPh3)2(κ3-NNN-L1)]Cl (1), [RuH(PPh3)2(κ3-NNN-L2)]Cl (2), and [RuH(PPh3)2(κ3-NNN-L3)]Cl (3), bearing a 2,6-bis (1-R-5-methyl-pyrazol-3-yl) pyridine ligand (L1: R = H, L2: R = C6H4-p-CF3, L3: R = C6H4-p-OCH3), were synthesized and characterized with NMR, HRMS, and single-crystal X-ray diffraction. Their catalytic application was investigated in

  一系列新的阳离子钌( II )配合物，[RuCl(PPh 3 ) 2 (κ 3 -NNN- L1 )]Cl ( 1 )、[RuH(PPh 3 ) 2 (κ 3 -NNN- L2 )]Cl ( 2 ) 和 [RuH(PPh 3 ) 2 (κ 3 -NNN- L3 )]Cl ( 3 )，带有 2,6-双 (1-R-5-甲基-吡唑-3-基) 吡啶配体 (合成了L1 : R = H、L2 : R = C 6 H 4 - p -CF 3、L3 : R = C 6 H 4 - p -OCH 3 )，并通过 NMR、HRMS 和单晶 X- 进行表征。射线衍射。研究了它们在伯醇无受体脱氢（AD）中的催化应用。配合物1对醛的选择性优于2和3，醛的收率高达99%，在温和条件下具有良好的官能团耐受性。此外，该反应唯一的副产物是氢气，可以作为清洁能源收集，符合环境友好化学的要求。配合物1也被证明是伯醇和仲醇之间连续
• Synthesis of <i>a</i>-Alkylated Ketones via Tandem Acceptorless Dehydrogenation/<i>a</i>-Alkylation from Secondary and Primary Alcohols Catalyzed by Metal–Ligand Bifunctional Iridium Complex [Cp*Ir(2,2′-bpyO)(H₂O)]
  作者：Rongzhou Wang、Juan Ma、Feng Li

  DOI：10.1021/acs.joc.5b01975

  日期：2015.11.6

  A new strategy for the synthesis of alpha-alkylated ketones via tandem acceptorless dehydrogenation/alpha-alkylation from secondary and primary alcohols was proposed and accomplished. In the presence of metal-ligand bifunctional iridium complex [Cp*Ir(2,2'-bpyO)(H2O)], various desirable products were obtained in high yields. Compared with previous methods for the direct dehydrogenative coupling of secondary alcohols with primary alcohols to alpha-alkylated ketones, this protocol has obvious advantages including complete selectivity for alpha-alkylated ketones and more environmentally benign conditions. Notably, the study also exhibited the potential to develop tandem reactions catalyzed using a metal-ligand bifunctional iridium complex.