4-(4-bromo-2,6-dimethylphenyl)-3,5-dimethylpyridine | 865087-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-bromo-2,6-dimethylphenyl)-3,5-dimethylpyridine
• 英文别名: 4-(4-Bromo-2,6-dimethylphenyl)-3,5-dimethylpyridine
• CAS: 865087-55-4
• 化学式: C₁₅H₁₆BrN
• 分子量: 290.203
• InChiKey: XUDVWRACENUGEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(4-bromo-2,6-dimethylphenyl)-3,5-dimethylpyridine 在 palladium diacetate 、 三苯基膦 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Efficient Synthesis and Structural Characteristics of Zwitterionic Twisted π-Electron System Biaryls

  摘要：

  [GRAPHICS]A series of unconventional twisted T-electron system molecules has been synthesized via Suzuki cross-coupling of two sterically hindered arenes. Crystallographic analysis of these molecules reveals a large ring-ring dihedral twist angle (87 degrees) and a highly charge-separated zwifterionic ground state. An efficient conversion of phenols into aryl halides is also reported.

  DOI：

  10.1021/ol051365x
• 作为产物：
  描述：

  4-(3,5-dimethylpyridin-4-yl)-3,5-dimethyl-phenylamine 在 亚硝酸特丁酯 、 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 以49.5%的产率得到4-(4-bromo-2,6-dimethylphenyl)-3,5-dimethylpyridine
  参考文献：
  名称：

  Efficient Synthesis and Structural Characteristics of Zwitterionic Twisted π-Electron System Biaryls

  摘要：

  [GRAPHICS]A series of unconventional twisted T-electron system molecules has been synthesized via Suzuki cross-coupling of two sterically hindered arenes. Crystallographic analysis of these molecules reveals a large ring-ring dihedral twist angle (87 degrees) and a highly charge-separated zwifterionic ground state. An efficient conversion of phenols into aryl halides is also reported.

  DOI：

  10.1021/ol051365x

文献信息

• Efficient Synthesis and Structural Characteristics of Zwitterionic Twisted π-Electron System Biaryls
  作者：Hu Kang、Antonio Facchetti、Charlotte L. Stern、Arnold L. Rheingold、W. Scott Kassel、Tobin J. Marks

  DOI：10.1021/ol051365x

  日期：2005.8.1

  [GRAPHICS]A series of unconventional twisted T-electron system molecules has been synthesized via Suzuki cross-coupling of two sterically hindered arenes. Crystallographic analysis of these molecules reveals a large ring-ring dihedral twist angle (87 degrees) and a highly charge-separated zwifterionic ground state. An efficient conversion of phenols into aryl halides is also reported.