1-[2-(2'-Methoxy-[1,1']binaphthalenyl-2-ylethynyl)-phenyl]-4,4-dimethyl-3-phenanthren-3-yl-pent-1-yn-3-ol | 909022-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[2-(2'-Methoxy-[1,1']binaphthalenyl-2-ylethynyl)-phenyl]-4,4-dimethyl-3-phenanthren-3-yl-pent-1-yn-3-ol
• CAS: 909022-91-9
• 化学式: C₅₀H₃₈O₂
• 分子量: 670.851
• InChiKey: IUGGLKBJINPUHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.66
• 重原子数：
  52.0
• 可旋转键数：
  3.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-[2-(2'-Methoxy-[1,1']binaphthalenyl-2-ylethynyl)-phenyl]-4,4-dimethyl-3-phenanthren-3-yl-pent-1-yn-3-ol 在 三乙基硅烷 、 potassium tert-butylate 、 三氟乙酸 作用下， 以 二氯甲烷 、 异丁醇 、 甲苯 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis and separation of the atropisomers of 2-(5-benzo[b]fluorenyl)-2′-hydroxy-1,1′-binaphthyl and related compounds

  摘要：

  Several syn and anti atropisomers of 2-(5-benzo[b]fluorenyl)-2'-hydroxy-1,1'-binaphthyl and related compounds were synthesized from 1,1'-binaphthyl-2,2'-diol (BINOL). It was possible to separate the syn and anti atropisomers by silica gel column chromatography. The syn atropisomers are potential hetero-bidentate ligands for complex formation with metals. By starting from enantiomerically pure (R)-(+)-BINOL and (S)-(-)-BINOL, four optically active syn atropisomers and two anti atropisomers with high enantiomeric purity were obtained. The structures of two syn atropisomers and one anti atropisomer were established by X-ray structure analyses. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.004
• 作为产物：
  描述：

  3-菲甲酸 在 正丁基锂 、 氯化亚砜 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 1-[2-(2'-Methoxy-[1,1']binaphthalenyl-2-ylethynyl)-phenyl]-4,4-dimethyl-3-phenanthren-3-yl-pent-1-yn-3-ol
  参考文献：
  名称：

  Synthesis and separation of the atropisomers of 2-(5-benzo[b]fluorenyl)-2′-hydroxy-1,1′-binaphthyl and related compounds

  摘要：

  Several syn and anti atropisomers of 2-(5-benzo[b]fluorenyl)-2'-hydroxy-1,1'-binaphthyl and related compounds were synthesized from 1,1'-binaphthyl-2,2'-diol (BINOL). It was possible to separate the syn and anti atropisomers by silica gel column chromatography. The syn atropisomers are potential hetero-bidentate ligands for complex formation with metals. By starting from enantiomerically pure (R)-(+)-BINOL and (S)-(-)-BINOL, four optically active syn atropisomers and two anti atropisomers with high enantiomeric purity were obtained. The structures of two syn atropisomers and one anti atropisomer were established by X-ray structure analyses. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.004