methyl 5-(but-3-enyl)-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate | 1108169-38-5

• 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: methyl 5-(but-3-enyl)-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate
• 英文别名: Methyl 3-but-3-enyl-2-hydroxy-4,6-dimethyl-5-[3-(trifluoromethyl)phenyl]benzoate；methyl 3-but-3-enyl-2-hydroxy-4,6-dimethyl-5-[3-(trifluoromethyl)phenyl]benzoate
• CAS: 1108169-38-5
• 化学式: C₂₁H₂₁F₃O₃
• 分子量: 378.391
• InChiKey: OTIGMVFJCOKCMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (1-Methoxy-3-trimethylsilyloxyocta-1,3,7-trienoxy)-trimethylsilane 、 3-(3-(trifluoromethyl)phenyl)-4-(trimethylsilyloxy)pent-3-en-2-one 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 以44%的产率得到methyl 5-(but-3-enyl)-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate
  参考文献：
  名称：

  Synthesis of sterically encumbered biaryls based on a ‘copper(I)-catalyzed arylation/[3+3] cyclocondensation’ strategy

  摘要：

  Sterically encumbered biaryls are prepared in two steps by Cul-proline-catalyzed arylation of acetylacetone to give 3-arylpentane-2,4-diones and subsequent formal [3+3] cyclization of the latter with 1,3-bis(trimethylsilyloxy)-1,3-dienes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.093

文献信息

• Synthesis of sterically encumbered biaryls based on a ‘copper(I)-catalyzed arylation/[3+3] cyclocondensation’ strategy
  作者：Asad Ali、Ihsan Ullah、Muhammad Sher、Alexander Villinger、Peter Langer

  DOI：10.1016/j.tetlet.2008.10.093

  日期：2009.1

  Sterically encumbered biaryls are prepared in two steps by Cul-proline-catalyzed arylation of acetylacetone to give 3-arylpentane-2,4-diones and subsequent formal [3+3] cyclization of the latter with 1,3-bis(trimethylsilyloxy)-1,3-dienes. (C) 2008 Elsevier Ltd. All rights reserved.