benzylacetone | 1474048-17-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: benzylacetone
• 英文别名: Diethoxy-methyl-(4-phenylbutan-2-yloxy)silane；diethoxy-methyl-(4-phenylbutan-2-yloxy)silane
• CAS: 1474048-17-3
• 化学式: C₁₅H₂₆O₃Si
• 分子量: 282.455
• InChiKey: GJOLHCVRBMVGRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲基二乙氧基硅烷 、 苄基丙酮 在 copper(II) 2-ethylhexanoate 、 1,2-双(二苯基膦基)苯 作用下， 以 甲苯 为溶剂， 生成 benzylacetone
  参考文献：
  名称：

  Ketone hydrosilylation by Cu(I) diphosphine complexes: A kinetic study

  摘要：

  Diphosphine ligands are commonly used for the catalytic hydrosilylation of ketones using Cu(I) complexes. While some DFT studies on the suggested catalytic cycle have been reported, we present herein a complete kinetic study of the copper(I) catalyzed reaction to verify the plausibility of the proposed catalytic cycle from an experimental point of view. The rate constants of the two consecutives steps are determined for BDP (BDP = 1,2-bis(diphenylphosphino) benzene) and rac-BINAP ligands. The two constants are found not to differ significantly, i.e. no rate limiting step is identified. Depending on operation conditions, a switch between rate limiting steps is observed leading to either first order kinetics in silane or ketone. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.054

文献信息

• Ketone hydrosilylation by Cu(I) diphosphine complexes: A kinetic study
  作者：Thomas Vergote、Sonia Gharbi、François Billard、Olivier Riant、Tom Leyssens

  DOI：10.1016/j.jorganchem.2013.07.054

  日期：2013.11

  Diphosphine ligands are commonly used for the catalytic hydrosilylation of ketones using Cu(I) complexes. While some DFT studies on the suggested catalytic cycle have been reported, we present herein a complete kinetic study of the copper(I) catalyzed reaction to verify the plausibility of the proposed catalytic cycle from an experimental point of view. The rate constants of the two consecutives steps are determined for BDP (BDP = 1,2-bis(diphenylphosphino) benzene) and rac-BINAP ligands. The two constants are found not to differ significantly, i.e. no rate limiting step is identified. Depending on operation conditions, a switch between rate limiting steps is observed leading to either first order kinetics in silane or ketone. (C) 2013 Elsevier B. V. All rights reserved.