1-phenyl-2-(2,2,2-trifluoroethoxy)propan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-phenyl-2-(2,2,2-trifluoroethoxy)propan-1-one
• 化学式: C₁₁H₁₁F₃O₂
• 分子量: 232.202
• InChiKey: YNWQBDVGIHQDHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,2,2-三氟乙醇 、 2-溴苯丙酮 在 caesium carbonate 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 2.0h， 以94%的产率得到1-phenyl-2-(2,2,2-trifluoroethoxy)propan-1-one
  参考文献：
  名称：

  Synthesis of α-trifluoroethoxy-substituted ketones

  摘要：

  A mild and straight-forward synthesis of alpha-trifluoroethoxy-substituted ketones from the trifluoroethoxylation of alpha-bromoketones with trifluoroethanol, under Cs2CO3-mediated conditions at room temperature, is described. The utility of this reaction for the synthesis of the trifluoroethoxy-substituted alcohols and pyrazoles is also showed. The reaction tolerates various functional groups and demonstrates efficient scalability and practicality. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.03.009

文献信息

• NEW BICYCLIC DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150353559A1

  公开（公告）日：2015-12-10

  The invention provides novel compounds having the general formula (I) wherein R 1 , Y, A, W, R 2 , m, n, p and q are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有一般式(I)的新化合物，其中R1、Y、A、W、R2、m、n、p和q如此处所述，包括该化合物的组合物以及使用该化合物的方法。
• Bicyclic derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US10669268B2

  公开（公告）日：2020-06-02

  The invention provides novel compounds having the general formula (I) wherein R1, Y, A, W, R2, m, n, p and q are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有通式 (I) 的新型化合物 其中 R1、Y、A、W、R2、m、n、p 和 q 如本文所述。
• Stereoselectivities in AgBF4-catalyzed and photoinduced phenyl-rearrangement of 2-chloropropiophenone
  作者：Satoshi Usui、Takeshi Matsumoto、Katsutoshi Ohkubo

  DOI：10.1016/s0040-4039(98)02284-9

  日期：1998.12

  (S)-2-Phenylpropionic acid was stereoselectively obtained by the AgBF4- catalyzed phenyl-rearrangement of (S)-2-chloropropiophenone dimethyl acetal, while the photoirradiation of (S)- or (R)-2-chloropropiophenone afforded partially racemized (S)- or (R)-2-phenylpropionic acid, respectively. An intramolecular S(N)2 mechanism is suggested for the former rearrangement. The latter result is indicative of the intervention of an ion or radical intermediate in the photoinduced phenyl-rearrangement. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Synthesis of α-trifluoroethoxy-substituted ketones
  作者：Yuguang Wang、Yi You、Zhiqiang Weng

  DOI：10.1016/j.jfluchem.2015.03.009

  日期：2015.7

  A mild and straight-forward synthesis of alpha-trifluoroethoxy-substituted ketones from the trifluoroethoxylation of alpha-bromoketones with trifluoroethanol, under Cs2CO3-mediated conditions at room temperature, is described. The utility of this reaction for the synthesis of the trifluoroethoxy-substituted alcohols and pyrazoles is also showed. The reaction tolerates various functional groups and demonstrates efficient scalability and practicality. (C) 2015 Elsevier B.V. All rights reserved.