1-bromo-4-(1,1-dimethylhexyl)benzene | 851231-37-3

• 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-bromo-4-(1,1-dimethylhexyl)benzene
• 英文别名: 1-Bromo-4-(2-methylheptan-2-yl)benzene；1-bromo-4-(2-methylheptan-2-yl)benzene
• CAS: 851231-37-3
• 化学式: C₁₄H₂₁Br
• 分子量: 269.225
• InChiKey: SIBYPEHKDCLJJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-乙氧基-2-环己烯-1-酮 、 1-bromo-4-(1,1-dimethylhexyl)benzene 在 正丁基锂 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940

  摘要：

  A series of 1-deoxy analogs of CP-47,497 (8 and 13, n = 0-7) and 1-deoxy analogs of CP-55,940 (9, n = 0-7) have been synthesized and their affinities for the cannabinoid CB1 and CB2 receptors have been determined. Although the majority of these compounds exhibit selectivity for the CB2 receptor, none have greater than modest affinity for either receptor. The interactions of these 1-deoxy nontraditional cannabinoids with the CB2 receptor are discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.09.033
• 作为产物：
  描述：

  4-tert-octylphenol 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 吡啶 、 三乙胺 、 copper(ll) bromide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 0.25h， 生成 1-bromo-4-(1,1-dimethylhexyl)benzene
  参考文献：
  名称：

  温和条件下酚类转化为相应的芳基卤化物

  摘要：

  已经开发了温和、新颖的方法，用于通过硼酸酯中间体从相应的酚类以适度至良好的产率合成芳基卤化物。

  DOI：

  10.1055/s-2005-861791

文献信息

• The Conversion of Phenols to the Corresponding Aryl Halides Under Mild Conditions
  作者：John Huffman、Alicia Thompson、George Kabalka、Murthy Akula

  DOI：10.1055/s-2005-861791

  日期：——

  Mild, novel procedures have been developed for the syntheses of aryl halides from the corresponding phenols in modest to good yields via boronate ester intermediates.

  已经开发了温和、新颖的方法，用于通过硼酸酯中间体从相应的酚类以适度至良好的产率合成芳基卤化物。
• Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940
  作者：John W. Huffman、Alicia L.S. Thompson、Jenny L. Wiley、Billy R. Martin

  DOI：10.1016/j.bmc.2007.09.033

  日期：2008.1

  A series of 1-deoxy analogs of CP-47,497 (8 and 13, n = 0-7) and 1-deoxy analogs of CP-55,940 (9, n = 0-7) have been synthesized and their affinities for the cannabinoid CB1 and CB2 receptors have been determined. Although the majority of these compounds exhibit selectivity for the CB2 receptor, none have greater than modest affinity for either receptor. The interactions of these 1-deoxy nontraditional cannabinoids with the CB2 receptor are discussed. (c) 2007 Elsevier Ltd. All rights reserved.