Pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarbaldehyde | 888941-05-7

• 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: Pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarbaldehyde
• CAS: 888941-05-7
• 化学式: C₇₆H₁₈O₂
• 分子量: 962.978
• InChiKey: BQSVNSNRYJSOTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  78
• 可旋转键数：
  2
• 环数：
  39.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarbaldehyde 、 N,N-二甲基-对苯二胺 在 1,3-二氮杂双环[2.2.2]辛烷 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 以16%的产率得到4-[[65-[[4-(dimethylamino)phenyl]iminomethyl]-5-pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaenyl]methylideneamino]-N,N-dimethylaniline
  参考文献：
  名称：

  Highly Regioselective Transformation of out/out-equatorial Bis(formylmethano)[60]fullerenes:  Construction of Dissymmetric [60]Fullerene-Centered Triads

  摘要：

  [GRAPHICS]Three kinds of out/out-equatorial bis( formylmethano)[ 60] fullerenes ( 1b-d) were obtained by the tether-directed bifunctionalization of [ 60] fullerene with bis( alpha-formylsulfonium ylide) s. The condensation of aromatic amines with 1b-d proceeded with an unexpectedly high regioselectivity to give one of two possible regioisomers of mono-imines as the main products ( the ratio of the regioisomers, up to 97: 3). By the transformation of the remaining formyl group in the mono-imines thus obtained, the corresponding dissymmetric bis-imines were efficiently synthesized.

  DOI：

  10.1021/jo060110+
• 作为产物：
  描述：

  5,5'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)butanal] 、 足球烯 以 various solvent(s) 为溶剂， 以30%的产率得到Pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarbaldehyde
  参考文献：
  名称：

  Highly Regioselective Transformation of out/out-equatorial Bis(formylmethano)[60]fullerenes:  Construction of Dissymmetric [60]Fullerene-Centered Triads

  摘要：

  [GRAPHICS]Three kinds of out/out-equatorial bis( formylmethano)[ 60] fullerenes ( 1b-d) were obtained by the tether-directed bifunctionalization of [ 60] fullerene with bis( alpha-formylsulfonium ylide) s. The condensation of aromatic amines with 1b-d proceeded with an unexpectedly high regioselectivity to give one of two possible regioisomers of mono-imines as the main products ( the ratio of the regioisomers, up to 97: 3). By the transformation of the remaining formyl group in the mono-imines thus obtained, the corresponding dissymmetric bis-imines were efficiently synthesized.

  DOI：

  10.1021/jo060110+

文献信息

• Regio- and diastereo-controlled synthesis of bis(formylmethano)[60]fullerenes and their application to the formation of [60]fullerene pearl-necklace polyimines
  作者：Hiroshi Ito、Yasuhiro Ishida、Kazuhiko Saigo

  DOI：10.1016/j.tetlet.2006.02.148

  日期：2006.5

  The tether-directed method was firstly applied to the biscyclopropanation of [60]fullerene via the addition-elimination reaction of bis(sulfonium ylide)s to give bis(formylmethano)[60]fullerenes with satisfactory regio- and stereoselectivity. The equatorialbisadduct thus obtained was used for the polycondensation with an aromatic diamine to afford the corresponding pearl-necklace polyimine with satisfactorily high degree of polymerization. (c) 2006 Elsevier Ltd. All rights reserved.
• Highly Regioselective Transformation of <i>out</i>/<i>out</i>-<i>e</i><i>quatorial</i> Bis(formylmethano)[60]fullerenes:  Construction of Dissymmetric [60]Fullerene-Centered Triads
  作者：Hiroshi Ito、Yasuhiro Ishida、Kazuhiko Saigo

  DOI：10.1021/jo060110+

  日期：2006.6.1

  [GRAPHICS]Three kinds of out/out-equatorial bis( formylmethano)[ 60] fullerenes ( 1b-d) were obtained by the tether-directed bifunctionalization of [ 60] fullerene with bis( alpha-formylsulfonium ylide) s. The condensation of aromatic amines with 1b-d proceeded with an unexpectedly high regioselectivity to give one of two possible regioisomers of mono-imines as the main products ( the ratio of the regioisomers, up to 97: 3). By the transformation of the remaining formyl group in the mono-imines thus obtained, the corresponding dissymmetric bis-imines were efficiently synthesized.