1-bromo-2,4,5-trifluoro-6-methoxy-3-(4-propylcyclohex-1-enyl)benzene | 1262220-71-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-bromo-2,4,5-trifluoro-6-methoxy-3-(4-propylcyclohex-1-enyl)benzene
• 英文别名: 3'-Bromo-2',5',6'-trifluoro-4'-methoxy-4-propyl-2,3,4,5-tetrahydro-1,1'-biphenyl；1-bromo-2,4,5-trifluoro-6-methoxy-3-(4-propylcyclohexen-1-yl)benzene
• CAS: 1262220-71-2
• 化学式: C₁₆H₁₈BrF₃O
• 分子量: 363.218
• InChiKey: BQYKNANREIJJDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-bromo-2,4,5-trifluoro-6-methoxy-3-(4-propylcyclohex-1-enyl)benzene 在 30% Pd/C 、 氢气 作用下， 以 四氢呋喃 为溶剂， 180.0 ℃ 、10.0 MPa 条件下， 反应 168.0h， 以20%的产率得到1,3,4-trifluoro-5-methoxy-2-(4-propyl-cyclohexyl)benzene
  参考文献：
  名称：

  Strategies for the synthesis of fluorinated liquid crystal derivatives from perbromofluoroaromatic systems

  摘要：

  The use of perbromofluorobenzene derivatives as starting materials for the synthesis of a variety of model liquid crystal systems by a combination of nucleophilic aromatic substitution, debromolithiation/trapping, dehydration and reduction processes is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.069
• 作为产物：
  描述：

  1-(3-bromo-2,5,6-trifluoro-4-methoxyphenyl)-4-propylcyclohexanol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以85%的产率得到1-bromo-2,4,5-trifluoro-6-methoxy-3-(4-propylcyclohex-1-enyl)benzene
  参考文献：
  名称：

  Strategies for the synthesis of fluorinated liquid crystal derivatives from perbromofluoroaromatic systems

  摘要：

  The use of perbromofluorobenzene derivatives as starting materials for the synthesis of a variety of model liquid crystal systems by a combination of nucleophilic aromatic substitution, debromolithiation/trapping, dehydration and reduction processes is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.069

文献信息

• Strategies for the synthesis of fluorinated liquid crystal derivatives from perbromofluoroaromatic systems
  作者：Alan M. Kenwright、Graham Sandford、Andrzej J. Tadeusiak、Dmitrii S. Yufit、Judith A.K. Howard、Pinar Kilickiran、Gabriele Nelles

  DOI：10.1016/j.tet.2010.10.069

  日期：2010.12

  The use of perbromofluorobenzene derivatives as starting materials for the synthesis of a variety of model liquid crystal systems by a combination of nucleophilic aromatic substitution, debromolithiation/trapping, dehydration and reduction processes is described. (C) 2010 Elsevier Ltd. All rights reserved.