6,6'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)hexanal] | 900186-19-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6,6'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)hexanal]
• CAS: 900186-19-8
• 化学式: C₂₂H₃₄O₂S₂
• 分子量: 394.643
• InChiKey: IBUHBNAIABTQFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  26.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6,6'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)hexanal] 、 足球烯 以 various solvent(s) 为溶剂， 反应 24.0h， 以23%的产率得到Pentatriacontacyclo[69.2.2.17,34.06,41.07,41.08,33.09,43.010,31.011,44.012,61.013,30.014,60.015,19.016,29.017,26.018,23.020,59.021,57.022,54.024,53.025,36.027,35.028,32.037,52.039,51.040,48.042,47.045,62.046,64.049,65.050,55.056,65.058,63.064,66.038,76]hexaheptaconta-1(74),8(33),9,11(44),12,14,16,18,20(59),21(57),22(54),23,25,27,29,31,34(76),35,37,39,42,45(62),46,48,50,52,55,58(63),60,71(75),72-hentriacontaene-6,66-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+
• 作为产物：
  描述：

  1,4-Benzenedibutanol, dimethanesulfonate 在 盐酸 、 sodium iodide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 、 苯 为溶剂， 生成 6,6'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)hexanal]
  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+