Benzyl<<10-(benzylaminomethyl)anthracen-9-yl>methyl>amin | 132769-39-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Benzyl<<10-(benzylaminomethyl)anthracen-9-yl>methyl>amin
• 英文别名: N-[[10-[(benzylamino)methyl]anthracen-9-yl]methyl]-1-phenylmethanamine
• CAS: 132769-39-2
• 化学式: C₃₀H₂₈N₂
• 分子量: 416.566
• InChiKey: OCWUMMAKESJXMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Benzyl<<10-(benzylaminomethyl)anthracen-9-yl>methyl>amin 在 盐酸 、 ammonium hexafluorophosphate 作用下， 以 水 为溶剂， 以84%的产率得到C₃₀H₂₈N₂*2F₆P^(1-)*2H⁽¹⁺⁾
  参考文献：
  名称：

  Toward Interlocked Molecules beyond Catenanes and Rotaxanes

  摘要：

  [GRAPHICS]A linear bis secondary dialkylammonium ion containing scaffold-based upon an anthracenyl core-has been synthesized. It has been demonstrated that it is possible to dock either one or two dibenzo[24]crown-8 (DB24C8) macrocycles onto this scaffold to afford either a [2]- or [3]pseudorotaxane, respectively, In solution, the association constants for the formation of each of these species has been quantified by employing H-1 NMR spectroscopy, and both species survive in the "gas phase" as evidenced by FAB mass spectrometry. Additionally, the X ray crystal superstructure of the [3]pseudorotaxane has been determined.

  DOI：

  10.1021/ol006187g
• 作为产物：
  描述：

  9,10-蒽双(甲胺) 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 20.0h， 生成 Benzyl<<10-(benzylaminomethyl)anthracen-9-yl>methyl>amin
  参考文献：
  名称：

  Toward Interlocked Molecules beyond Catenanes and Rotaxanes

  摘要：

  [GRAPHICS]A linear bis secondary dialkylammonium ion containing scaffold-based upon an anthracenyl core-has been synthesized. It has been demonstrated that it is possible to dock either one or two dibenzo[24]crown-8 (DB24C8) macrocycles onto this scaffold to afford either a [2]- or [3]pseudorotaxane, respectively, In solution, the association constants for the formation of each of these species has been quantified by employing H-1 NMR spectroscopy, and both species survive in the "gas phase" as evidenced by FAB mass spectrometry. Additionally, the X ray crystal superstructure of the [3]pseudorotaxane has been determined.

  DOI：

  10.1021/ol006187g

文献信息

• Belser, Peter; Dux, Roland; Baak, Marcel, Angewandte Chemie, 1995, vol. 107, # 5, p. 634 - 637
  作者：Belser, Peter、Dux, Roland、Baak, Marcel、Cola, Luisa De、Balzani, Vincenzo

  DOI：——

  日期：——
• Toward Interlocked Molecules beyond Catenanes and Rotaxanes
  作者：Theresa Chang、Aaron M. Heiss、Stuart J. Cantrill、Matthew C. T. Fyfe、Anthony R. Pease、Stuart J. Rowan、J. Fraser Stoddart、David J. Williams

  DOI：10.1021/ol006187g

  日期：2000.9.1

  [GRAPHICS]A linear bis secondary dialkylammonium ion containing scaffold-based upon an anthracenyl core-has been synthesized. It has been demonstrated that it is possible to dock either one or two dibenzo[24]crown-8 (DB24C8) macrocycles onto this scaffold to afford either a [2]- or [3]pseudorotaxane, respectively, In solution, the association constants for the formation of each of these species has been quantified by employing H-1 NMR spectroscopy, and both species survive in the "gas phase" as evidenced by FAB mass spectrometry. Additionally, the X ray crystal superstructure of the [3]pseudorotaxane has been determined.