4-[2,5-Bis(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-methylbutyl)phenyl]-2-methylbutan-2-ol | 1191421-95-0

• 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: 4-[2,5-Bis(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-methylbutyl)phenyl]-2-methylbutan-2-ol
• CAS: 1191421-95-0
• 化学式: C₃₂H₄₂O₆
• 分子量: 522.682
• InChiKey: INKKHBQLXMJUHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[2,5-Bis(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-methylbutyl)phenyl]-2-methylbutan-2-ol 在 甲烷磺酸 作用下， 以 二氯甲烷 为溶剂， 以99%的产率得到6,7,18,19-Tetramethoxy-10,10,22,22-tetramethylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4,6,8,14,16,18,20-nonaene
  参考文献：
  名称：

  A Versatile Preparation of Geländer-Type p-Terphenyls from a Readily Available Diacetylenic Precursor

  摘要：

  A series of doubly bridged p-terphenyls (4) have been synthesized utilizing a facile three-step synthesis starting from the readily available diacetylenic precursor (1) in excellent overall yields, and their structures were confirmed by H-1/C-13 NMR spectroscopy as well as by X-ray crystallography. The racemization barrier between the meso and chiral atropisomers; of one of the derivatives of 4 was found to be similar to 12 kcal/mol by variable-temperature NMR spectroscopy. The versatility of the protocol developed herein was further demonstrated by the preparation of a quadruply bridged penta-p-phenylene derivative.

  DOI：

  10.1021/ol901938f
• 作为产物：
  描述：

  4-[2,5-Bis(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以96%的产率得到4-[2,5-Bis(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-methylbutyl)phenyl]-2-methylbutan-2-ol
  参考文献：
  名称：

  A Versatile Preparation of Geländer-Type p-Terphenyls from a Readily Available Diacetylenic Precursor

  摘要：

  A series of doubly bridged p-terphenyls (4) have been synthesized utilizing a facile three-step synthesis starting from the readily available diacetylenic precursor (1) in excellent overall yields, and their structures were confirmed by H-1/C-13 NMR spectroscopy as well as by X-ray crystallography. The racemization barrier between the meso and chiral atropisomers; of one of the derivatives of 4 was found to be similar to 12 kcal/mol by variable-temperature NMR spectroscopy. The versatility of the protocol developed herein was further demonstrated by the preparation of a quadruply bridged penta-p-phenylene derivative.

  DOI：

  10.1021/ol901938f

文献信息

• A Versatile Preparation of Geländer-Type <i>p</i>-Terphenyls from a Readily Available Diacetylenic Precursor
  作者：Matthew Modjewski、Sergey V. Lindeman、Rajendra Rathore

  DOI：10.1021/ol901938f

  日期：2009.10.15

  A series of doubly bridged p-terphenyls (4) have been synthesized utilizing a facile three-step synthesis starting from the readily available diacetylenic precursor (1) in excellent overall yields, and their structures were confirmed by H-1/C-13 NMR spectroscopy as well as by X-ray crystallography. The racemization barrier between the meso and chiral atropisomers; of one of the derivatives of 4 was found to be similar to 12 kcal/mol by variable-temperature NMR spectroscopy. The versatility of the protocol developed herein was further demonstrated by the preparation of a quadruply bridged penta-p-phenylene derivative.