1-苄基-4-(2,2,2-三氟-1-(三甲基硅氧基)乙基)哌嗪 | 321573-95-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苄基-4-(2,2,2-三氟-1-(三甲基硅氧基)乙基)哌嗪
• 英文名称: 1-benzyl-4-(2,2,2-trifluoro-1-(trimethylsilyloxy)ethyl)piperazine
• 英文别名: [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
• CAS: 321573-95-9
• 化学式: C₁₆H₂₅F₃N₂OSi
• 分子量: 346.468
• InChiKey: AZONQAJEJDTHSU-UHFFFAOYSA-N

物化性质

• 沸点：
  331.2±42.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-苄基-4-(2,2,2-三氟-1-(三甲基硅氧基)乙基)哌嗪 在 三乙基硅烷 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以85%的产率得到1-benzyl-4-(2,2,2-trifluoroethyl)piperazine
  参考文献：
  名称：

  Reactivity of Stable Trifluoroacetaldehyde Hemiaminals. 2. Generation and Synthetic Potentialities of Fluorinated Iminiums

  摘要：

  Under Lewis acid activation, hemiaminals of trifluoroacetaldehyde and related (fluoroalkyl)-aldehydes generate iminium species that can react with various nucleophiles to provide fluorinated amines.

  DOI：

  10.1021/jo016265t
• 作为产物：
  描述：

  1-苄基哌嗪 在 4A MS 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 1-苄基-4-(2,2,2-三氟-1-(三甲基硅氧基)乙基)哌嗪
  参考文献：
  名称：

  New stable reagents for the nucleophilic trifluoromethylation. Part 2: Trifluoromethylation with silylated hemiaminals of trifluoroacetaldehyde

  摘要：

  New reagents for the nucleophilic trifluoromethylation have been easily synthesized from fluoral hemiketal. They provide silylated trifluoromethylcarbinol from non-enolizable carbonyl compounds. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01552-5

文献信息

• Nuclear Hormone Receptor Modulators
  申请人：Cusack Kevin P.

  公开号：US20120238549A1

  公开（公告）日：2012-09-20

  The invention provides a compound of Formula (I) pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  本发明提供了一种公式(I)的化合物，其中变量如本文所述定义。所述化合物的药用盐、前药、生物活性代谢物、立体异构体和同分异构体。本发明的化合物可用于治疗免疫学和肿瘤学疾病。
• New stable reagents for the nucleophilic trifluoromethylation. Part 4: Trifluoromethylation of disulfides and diselenides with hemiaminals of trifluoroacetaldehyde
  作者：G Blond、T Billard、B.R Langlois

  DOI：10.1016/s0040-4039(01)00225-8

  日期：2001.3

  Hemiaminals of fluoral and derivatives have been previously described as efficient new reagents for the nucleophilic trifluoromethylation of carbonyl compounds. Their use has been extended to the synthesis of trifluoromethyl sulfides and selenides from disulfides and diselenides.

  先前已经描述了氟代醛类及其衍生物是用于羰基化合物的亲核三氟甲基化的有效新试剂。它们的用途已扩展到由二硫化物和二硒化物合成三氟甲基硫化物和硒化物。
• Reactivity of Stable Trifluoroacetaldehyde Hemiaminals. 1. An Unexpected Reaction with Enolizable Carbonyl Compounds
  作者：Gaëlle Blond、Thierry Billard、Bernard R. Langlois

  DOI：10.1021/jo015587u

  日期：2001.7.1

  In the presence of enolizable carbonyl compounds, hemiaminals of fluoral and related polyfluoro-aldehydes behave as equivalents of fluoroalkyl iminium compounds and provide beta -polyfluoroalkyl beta -dialkylamino ketones, which are easily transformed, under acidic conditions, into beta -polyfluoroalkylenones.
• Reactivity of Stable Trifluoroacetaldehyde Hemiaminals. 2. Generation and Synthetic Potentialities of Fluorinated Iminiums
  作者：Thierry Billard、Bernard R. Langlois

  DOI：10.1021/jo016265t

  日期：2002.2.1

  Under Lewis acid activation, hemiaminals of trifluoroacetaldehyde and related (fluoroalkyl)-aldehydes generate iminium species that can react with various nucleophiles to provide fluorinated amines.
• New stable reagents for the nucleophilic trifluoromethylation. Part 2: Trifluoromethylation with silylated hemiaminals of trifluoroacetaldehyde
  作者：T Billard、B.R Langlois*、G Blond

  DOI：10.1016/s0040-4039(00)01552-5

  日期：2000.11

  New reagents for the nucleophilic trifluoromethylation have been easily synthesized from fluoral hemiketal. They provide silylated trifluoromethylcarbinol from non-enolizable carbonyl compounds. (C) 2000 Elsevier Science Ltd. All rights reserved.