1,1-di(9-fluorenyl)ethanol | 96175-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1,1-di(9-fluorenyl)ethanol
• 英文别名: 1-Bis--aethanol-(1)；2-Methyl-1,1,3,3,-bis-biphenylen-propanol-(2)；1-Bis-(fluorenyl-(9))-aethanol-(1)；1,1-Di-9-fluorenylethanol；1,1-bis(9H-fluoren-9-yl)ethanol
• CAS: 96175-00-7
• 化学式: C₂₈H₂₂O
• 分子量: 374.482
• InChiKey: KHQSYZURDSUSFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,1-di(9-fluorenyl)ethanol 在 盐酸 、 potassium methanolate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-fluoren-9-yl-1-fluoren-9-yliden-ethane
  参考文献：
  名称：

  �ber substituierte Bis-biphenylen-allyl-Radikale

  摘要：

  DOI：

  10.1007/bf00909246
• 作为产物：
  描述：

  9H-芴-9-基锂 、 乙酰氯 以 乙醚 为溶剂， 生成 1,1-di(9-fluorenyl)ethanol
  参考文献：
  名称：

  Über die Einwirkung von Brom auf 9-Acetylfluoren

  摘要：

  DOI：

  10.1246/bcsj.34.1257

文献信息

• 1,1-Di(9-fluorenyl)ethanol, a by-product from the acetylation of 9-fluorenyllithium
  作者：Cal Y. Meyers、Hisham G. Lutfi、Yuqing Hou、Paul D. Robinson

  DOI：10.1107/s0108270101001846

  日期：2001.5.15

  Treatment of 9-fluorenyllithium with acetyl chloride produces 9-acetylfluorene, (I), and several by-products. Among them is a compound unequivocally identified for the first time as the addition product of (I) with 9-fluorenyllithium, 1,1-di(9-fluorenyl)ethanol, C28H22O, (II). The two fluorene-ring planes of (II) are essentially perpendicular [89.90 (9)degrees]. A number of intermolecular non-bonding distances are well within or close to the sum of their respective van der Waals radii and may be responsible for the rarely observed large bowing of one of the fluorene rings. This bowing apparently arises from two molecules impinging on the convex face of the bowed ring, augmented by hydrogen bonding between the peripheral pi electrons of the concave face and the hydroxyl H atom of another molecule adjacent to that face.
• 1,1-Di(9-fluorenyl)ethyl acetate, a by-product from the acetylation of 9-fluorenyllithium
  作者：Paul D. Robinson、Hisham G. Lutfi、Yuqing Hou、Cal Y. Meyers

  DOI：10.1107/s0108270101001858

  日期：2001.5.15

  The preparation of sp-9-acetylfluorene from the reaction of 9-fluorenyllithium with acetyl chloride also provided 9-(1-acetoxyethylidene)fluorene ('diacetylfluorene') and 1,1-di(9-fluorenyl)ethanol, (II), as by-products recently characterized by X-ray analysis. A third by-product, 1,1-di(9-fluorenyl)ethyl acetate, (III), C30H24O2, has now been unequivocally identified for the first time, and emanates from the acetylation of the oxyanion of (II). In the asymmetric unit, compound (III) exists as two almost identical structures which differ slightly, but significantly, in conformation. Neither possesses the significant fluorene-ring bowing or the perpendicularity of the two ring planes exhibited by (II). The angle between the least-squares planes of the two fluorene rings of (III) is 58.45 (9) and 60.95 (10)degrees, respectively, for the two conformations, and their corresponding bonding parameters also differ slightly in a number of instances.
• �ber substituierte Bis-biphenylen-allyl-Radikale
  作者：Richard Kuhn、Alfred Neugebauer

  DOI：10.1007/bf00909246

  日期：——
• Über die Einwirkung von Brom auf 9-Acetylfluoren
  作者：Mitsuo Masaki、Masaki Ohta

  DOI：10.1246/bcsj.34.1257

  日期：1961.9