1-(3,4-Bis(trifluoromethyl)phenyl)-2-bromoethanone | 129622-97-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,4-Bis(trifluoromethyl)phenyl)-2-bromoethanone
• 英文别名: 1-[3,4-bis(trifluoromethyl)phenyl]-2-bromoethanone
• CAS: 129622-97-5
• 化学式: C₁₀H₅BrF₆O
• 分子量: 335.04
• InChiKey: NTOQHVLDMIFOLZ-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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives
  申请人：Ishii Akihiro

  公开号：US20050171363A1

  公开（公告）日：2005-08-04

  A process for producing a brominated acetal (represented by the formula 3) includes (a) brominating a trifluoromethyl-substituted acetophenone by Br 2 in the presence of an alkylene diol. It is optional to produce a trifluoromethyl-substituted 2-alkoxyacetophenone derivative (represented by the formula 9) by (b) reacting the brominated acetal with a metal alkoxide, thereby converting the brominated acetal into an ether; and (c) hydrolyzing the ether in the presence of an acid catalyst to remove an acetal group from the ether, thereby producing the 2-alkoxyacetophenone derivative. Alternatively, the 2-alkoxyacetophenone can be produced by (a) reacting a trifluoromethyl-substituted phenacyl halide with an acetalization agent, thereby converting the phenacyl halide into an acetal; (b) reacting the acetal with a metal alkoxide, thereby converting the acetal into an ether; and (c) hydrolyzing the ether in the presence of an acid catalyst to remove the acetal group from the ether.

  生产溴化缩醛（由式 3 表示）的工艺包括 (a) 用 Br 2 溴化三氟甲基取代的苯乙酮。可选择通过以下方法生产三氟甲基取代的 2-烷氧基苯乙酮衍生物（由式 9 表示）：(b) 使溴化缩醛与金属氧化烷反应，从而将溴化缩醛转化为醚；(c) 在酸催化剂存在下水解醚，从醚中除去缩醛基团，从而生产 2-烷氧基苯乙酮衍生物。或者，2-烷氧基苯乙酮可以通过以下方法制得：(a) 使三氟甲基取代的苯酰卤与缩醛剂反应，从而将苯酰卤转化为缩醛；(b) 使缩醛与金属烷氧基反应，从而将缩醛转化为醚；(c) 在酸催化剂存在下水解醚，以除去醚中的缩醛基团。
• Process for producing (R)-styrene oxides
  申请人：SUMIKA FINE CHEMICAL COMPANY, LTD.

  公开号：EP0735142B1

  公开（公告）日：2001-10-24
• Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives
  申请人：Ishii Akihiro

  公开号：US20060128976A1

  公开（公告）日：2006-06-15

  A process for producing a brominated acetal (represented by the formula 3) includes (a) brominating a trifluoromethyl-substituted acetophenone by Br 2 in the presence of an alkylene diol. It is optional to produce a trifluoromethyl-substituted 2-alkoxyacetophenone derivative (represented by the formula 9) by (b) reacting the brominated acetal with a metal alkoxide, thereby converting the brominated acetal into an ether; and (c) hydrolyzing the ether in the presence of an acid catalyst to remove an acetal group from the ether, thereby producing the 2-alkoxyacetophenone derivative. Alternatively, the 2-alkoxyacetophenone can be produced by (a) reacting a trifluoromethyl-substituted phenacyl halide with an acetalization agent, thereby converting the phenacyl halide into an acetal; (b) reacting the acetal with a metal alkoxide, thereby converting the acetal into an ether; and (c) hydrolyzing the ether in the presence of an acid catalyst to remove the acetal group from the ether.
• US5717116A
  申请人：——

  公开号：US5717116A

  公开（公告）日：1998-02-10
• US7053248B2
  申请人：——

  公开号：US7053248B2

  公开（公告）日：2006-05-30