1,1,1-trifluoro-3-methoxy-3-phenyl-2-propanone | 578-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1,1-trifluoro-3-methoxy-3-phenyl-2-propanone
• 英文别名: α-methoxybenzyl trifluoromethyl ketone；1,1,1-trifluoro-3-methoxy-3-phenyl-acetone；1,1,1-Trifluor-3-methoxy-3-phenyl-aceton；1,1,1-Trifluoro-3-methoxy-3-phenylpropan-2-one
• CAS: 578-88-1
• 化学式: C₁₀H₉F₃O₂
• 分子量: 218.175
• InChiKey: WCOSVPPZCPYAQU-UHFFFAOYSA-N

物化性质

• 沸点：
  65-66 °C(Press: 2 Torr)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  1,1,1-三氟-3-苯基丙酮 在 甲醇 、 四氯化碳 、 溴 作用下， 生成 1,1,1-trifluoro-3-methoxy-3-phenyl-2-propanone
  参考文献：
  名称：

  Amine and Enol Derivatives of 1,1,1-Trifluoropropane¹

  摘要：

  DOI：

  10.1021/ja01168a012

文献信息

• Comparative study of the ring opening of 1-CF3-epoxy ethers mediated by Brönsted acids and hexafluoro-2-propanol
  作者：Jernej Iskra、Danièle Bonnet-Delpon、Jean-Pierre Bégué

  DOI：10.1016/j.jfluchem.2004.12.008

  日期：2005.4

  In order to evaluate more deeply the nature of the activation of oxirane ring opening reactions by HFIP, ring opening of both CF3-epoxy ethers 1a (R = Ph) and 1b (R = CH2CH2Ph) with HFIP alone, and with hard (MeOH) or soft (PhSH) nucleophiles in HFIP, were investigated and compared to reactions performed with Bronsted acids. Nucleophilic ring opening reactions in HFIP were facilitated with PhSH and only alpha-substituted trifluoromethyl ketone 5 was isolated (nucleophilic ring opening), while with MeOH, both processes, nucleophile and electrophile-assisted ring opening were in competition. In the Bronsted acid-catalysed ring opening of 1-CF3-epoxy ethers 1 in HFIP, only the acid-catalysed ring opening process occurred with an inversed regioselectivity. (c) 2004 Elsevier B.V. All rights reserved.
• Karavan, V. S.; Tribulovich, V. G.; Nikiforov, V. A., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 7, p. 1148 - 1151
  作者：Karavan, V. S.、Tribulovich, V. G.、Nikiforov, V. A.

  DOI：——

  日期：——
• EP1576138A4
  申请人：——

  公开号：EP1576138A4

  公开（公告）日：2008-09-03
• 2-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION
  申请人：Idenix (Cayman) Limited

  公开号：EP1576138A2

  公开（公告）日：2005-09-21
• METHODS OF ADMINISTERING PROSTRATIN AND STRUCTURAL ANALOGS THEREOF
  申请人：Aids Research Alliance

  公开号：EP2276478A1

  公开（公告）日：2011-01-26