36,64-Dimethyl-36,64-diazatritriacontacyclo[12.10.7.77,21.712,13.718,28.23,6.215,30.224,26.12,22.18,27.117,20.119,23.04,25.09,29.010,31.349,58.139,43.05,41.011,52.016,54.032,38.033,40.034,38.034,42.044,66.045,47.046,57.048,62.049,58.050,61.051,60.053,56.055,59]hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(41),28,30,32,39,42,44(66),45(47),46(57),48(62),50(61),51,53(56),54,59-octacosaene | 177726-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 36,64-Dimethyl-36,64-diazatritriacontacyclo[12.10.7.77,21.712,13.718,28.23,6.215,30.224,26.12,22.18,27.117,20.119,23.04,25.09,29.010,31.349,58.139,43.05,41.011,52.016,54.032,38.033,40.034,38.034,42.044,66.045,47.046,57.048,62.049,58.050,61.051,60.053,56.055,59]hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(41),28,30,32,39,42,44(66),45(47),46(57),48(62),50(61),51,53(56),54,59-octacosaene
• CAS: 177726-24-8
• 化学式: C₆₆H₁₄N₂
• 分子量: 834.851
• InChiKey: APBNSIRYACGLLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.8
• 重原子数：
  68
• 可旋转键数：
  0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 肌氨酸 、 36,64-Dimethyl-36,64-diazatritriacontacyclo[12.10.7.77,21.712,13.718,28.23,6.215,30.224,26.12,22.18,27.117,20.119,23.04,25.09,29.010,31.349,58.139,43.05,41.011,52.016,54.032,38.033,40.034,38.034,42.044,66.045,47.046,57.048,62.049,58.050,61.051,60.053,56.055,59]hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(41),28,30,32,39,42,44(66),45(47),46(57),48(62),50(61),51,53(56),54,59-octacosaene 以 甲苯 为溶剂， 反应 1.0h， 生成 、 、 、
  参考文献：
  名称：

  Isolation and Characterization of Nine Tris-adducts of N-Methylfulleropyrrolidine Derivatives

  摘要：

  We report the isolation and characterization of bis- and tris-adducts of fulleropyrrolidine derivatives. First, all eight N-methyl regioisomers with two addends on the C-60 sphere have been isolated; second, C-60 was used as starting material for the synthesis of tris-adducts, and the products formed in detectable quantities have been isolated and characterized. Third, the same compounds were obtained by introducing the third addend on each previously isolated bis-derivative: this approach facilitated the assignment of the relative geometry through chromatographic comparison of the diverse reaction mixtures. Finally, the obtained tris-adducts have been characterized by means of ES-MS, UV-vis, H-1 NMR, as well as comparison with UV spectra and elution order of Bingel and Diels-Alder tris-adducts described in the literature.

  DOI：

  10.1021/jo050417t
• 作为产物：
  描述：

  聚合甲醛 、 肌氨酸 、 足球烯 以 甲苯 为溶剂， 反应 1.0h， 生成 36,64-Dimethyl-36,64-diazatritriacontacyclo[12.10.7.77,21.712,13.718,28.23,6.215,30.224,26.12,22.18,27.117,20.119,23.04,25.09,29.010,31.349,58.139,43.05,41.011,52.016,54.032,38.033,40.034,38.034,42.044,66.045,47.046,57.048,62.049,58.050,61.051,60.053,56.055,59]hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(41),28,30,32,39,42,44(66),45(47),46(57),48(62),50(61),51,53(56),54,59-octacosaene 、 trans-3-C₆₀-bis(N-methylpyrrolidine) 、 31,59-Dimethyl-31,59-diazatritriacontacyclo[10.7.7.74,8.77,24.313,15.317,19.320,22.23,6.29,11.210,26.014,25.016,23.018,21.750,51.22,39.134,37.144,45.05,47.027,33.028,35.029,33.029,36.038,62.040,55.041,42.043,56.046,49.048,52.050,57.053,65.054,64.057,63.061,66]hexahexaconta-1,3,5,7,9,11(45),12(26),13,15,17(41),18,20,22,24,27,34,36,38(62),39,42,44(63),46(49),47,51,53(65),54(64),55,61(66)-octacosaene 、 N-Methylfulleropyrrolidine
  参考文献：
  名称：

  Isolation and Characterization of Nine Tris-adducts of N-Methylfulleropyrrolidine Derivatives

  摘要：

  We report the isolation and characterization of bis- and tris-adducts of fulleropyrrolidine derivatives. First, all eight N-methyl regioisomers with two addends on the C-60 sphere have been isolated; second, C-60 was used as starting material for the synthesis of tris-adducts, and the products formed in detectable quantities have been isolated and characterized. Third, the same compounds were obtained by introducing the third addend on each previously isolated bis-derivative: this approach facilitated the assignment of the relative geometry through chromatographic comparison of the diverse reaction mixtures. Finally, the obtained tris-adducts have been characterized by means of ES-MS, UV-vis, H-1 NMR, as well as comparison with UV spectra and elution order of Bingel and Diels-Alder tris-adducts described in the literature.

  DOI：

  10.1021/jo050417t

文献信息

• Preparation and Characterization of Six Bis(<i>N</i>-methylpyrrolidine)−C₆₀ Isomers:  Magnetic Deshielding in Isomeric Bisadducts of C₆₀
  作者：Qing Lu、David I. Schuster、Stephen R. Wilson

  DOI：10.1021/jo960466t

  日期：1996.1.1

  A series of isomers of bis(N-methylpyrrolidine)-C(60) 2 (Prato bisadducts) was prepared by the 1,3-dipolar cycloaddition of N-methylazomethine ylide to C(60). Six isomers were separated and characterized by ESI-MS, UV/vis, and (1)H and (13)C NMR spectroscopy. The structures of these bisadducts were assigned based on (1) comparison of their molecular symmetries with their (1)H and (13)C NMR spectra

  通过将N-甲基偶氮甲叉基内酯的1，3-偶极环加成到C（60）上，制备了一系列双（N-甲基吡咯烷）-C（60）2的异构体（普拉托双加合物）。分离了六个异构体，并通过ESI-MS，UV / vis和（1）H和（13）C NMR光谱进行了表征。这些双加合物的结构是根据（1）比较其分子对称性与（1）H和（13）C NMR光谱，（2）将其UV / vis光谱与相应的Bingel-Hirsch双加合物的结构， （3）亚甲基和N-甲基（1）H NMR共振的脱保护顺序。普拉托（Brato）双加成比对C（60）的Bingel-Hirsch双加成具有较低的化学选择性。
• Isolation and Characterization of Nine Tris-adducts of <i>N</i>-Methylfulleropyrrolidine Derivatives
  作者：Silvia Marchesan、Tatiana Da Ros、Maurizio Prato

  DOI：10.1021/jo050417t

  日期：2005.6.1

  We report the isolation and characterization of bis- and tris-adducts of fulleropyrrolidine derivatives. First, all eight N-methyl regioisomers with two addends on the C-60 sphere have been isolated; second, C-60 was used as starting material for the synthesis of tris-adducts, and the products formed in detectable quantities have been isolated and characterized. Third, the same compounds were obtained by introducing the third addend on each previously isolated bis-derivative: this approach facilitated the assignment of the relative geometry through chromatographic comparison of the diverse reaction mixtures. Finally, the obtained tris-adducts have been characterized by means of ES-MS, UV-vis, H-1 NMR, as well as comparison with UV spectra and elution order of Bingel and Diels-Alder tris-adducts described in the literature.