2-(4-Fluoro-benzyl)-1,2,3,4-tetrahydro-isoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-(4-Fluoro-benzyl)-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 2-(4-Fluorobenzyl)-1,2,3,4-tetrahydroisoquinoline；2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
• 化学式: C₁₆H₁₆FN
• 分子量: 241.308
• InChiKey: VNORDHUBNAOTKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  四氢异喹啉 、 4-氟溴苄 在 acrylate resin 、 三乙胺 作用下， 生成 2-(4-Fluoro-benzyl)-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  A Novel Cleavage Technique To Generate Small Molecule Compounds and Libraries via a Two-Resin System

  摘要：

  Application of organic synthesis to solid supports has led to the successful implementation of combinatorial chemistry in the drug discovery process. This paper describes a novel use of the Hofmann elimination of tetrasubstituted amine salts on solid-phase resin to generate diverse combinatorial libraries of trisubstituted amines. Highly pure compounds were isolated without further purification by the addition of a second resin as the source reagent to promote the required elimination. The use of mixed resin systems to generate compounds is a novel application of bead-based technologies.

  DOI：

  10.1021/jo971347w

文献信息

• Use of fluorous silica gel to separate fluorous thiol quenching derivatives in solution-phase parallel synthesis
  作者：Wei Zhang、Dennis P Curran、Christine Hiu-Tung Chen

  DOI：10.1016/s0040-4020(02)00209-0

  日期：2002.5

  A general fluorous thiol quenching method is introduced. Excess alpha-bromoketones or benzyl bromides in parallel N-alkylation reactions are quenched with a fluorous thiol (C6F13CH2CH2SH). The resulting fluorous derivatives can be separated from the reaction mixture by a solid phase extraction on fluorous silica gel. (C) 2002 Elsevier Science Ltd. All rights reserved.