7,7'-(1,4-phenylene)bis[2-(methylthio)heptanal] | 900186-27-8

• 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: 7,7'-(1,4-phenylene)bis[2-(methylthio)heptanal]
• CAS: 900186-27-8
• 化学式: C₂₂H₃₄O₂S₂
• 分子量: 394.643
• InChiKey: FVDUBLDRJAVXLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  534.1±50.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.75
• 重原子数：
  26.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7,7'-(1,4-phenylene)bis[2-(methylthio)heptanal] 、 trimethoxonium tetrafluoroborate 在 sodium hydroxide 、 potassium carbonate 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 以96%的产率得到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+
• 作为产物：
  描述：

  1,4-di(5'-hydroxy) pentyl benzene 在 吡啶 、 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 7,7'-(1,4-phenylene)bis[2-(methylthio)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+