7,7'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)heptanal] | 900186-20-1

• 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: 7,7'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)heptanal]
• CAS: 900186-20-1
• 化学式: C₂₄H₃₈O₂S₂
• 分子量: 422.697
• InChiKey: YYLBJUVTZREZMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  28.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 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：

  7,7'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)heptanal] 、 足球烯 以 various solvent(s) 为溶剂， 反应 22.0h， 以22%的产率得到Pentatriacontacyclo[71.2.2.18,35.07,42.08,42.09,34.010,44.011,32.012,45.013,62.014,31.015,61.016,20.017,30.018,27.019,24.021,60.022,58.023,55.025,54.026,37.028,36.029,33.038,53.040,52.041,49.043,48.046,63.047,65.050,66.051,56.057,66.059,64.065,67.039,78]octaheptaconta-1(76),9(34),10,12(45),13,15,17,19,21(60),22(58),23(55),24,26,28,30,32,35(78),36,38,40,43,46(63),47,49,51,53,56,59(64),61,73(77),74-hentriacontaene-7,67-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：

  7,7'-(1,4-phenylene)bis[2-(methylthio)heptanal] bis(N,N-dimethylhydrazone) 在 盐酸 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 7,7'-(1,4-phenylene)bis[2-(dimethylsulfanylidene)heptanal]
  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+