42-Bromo-12,28-dithiaheptacyclo[28.2.2.27,10.214,17.223,26.12,6.118,22]dotetraconta-1(32),2(42),3,5,7(41),8,10(40),14(39),15,17(38),18,20,22(37),23,25,30,33,35-octadecaene-37-carboxylic acid

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 42-Bromo-12,28-dithiaheptacyclo[28.2.2.27,10.214,17.223,26.12,6.118,22]dotetraconta-1(32),2(42),3,5,7(41),8,10(40),14(39),15,17(38),18,20,22(37),23,25,30,33,35-octadecaene-37-carboxylic acid
• 化学式: C₄₁H₃₁BrO₂S₂
• 分子量: 699.732
• InChiKey: RRELUUCWUPPUDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  46
• 可旋转键数：
  1
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-二氯-2-碘苯 在 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 溴 作用下， 以 四氯化碳 、 乙醇 、 苯 为溶剂， 反应 47.5h， 生成 42-Bromo-12,28-dithiaheptacyclo[28.2.2.27,10.214,17.223,26.12,6.118,22]dotetraconta-1(32),2(42),3,5,7(41),8,10(40),14(39),15,17(38),18,20,22(37),23,25,30,33,35-octadecaene-37-carboxylic acid
  参考文献：
  名称：

  2′-Substituted meta-terphenyls as building blocks for cyclophanes with intra-annular functionality

  摘要：

  2'-Substituted m-terphenyls containing chloromethyl and/or thiomethyl groups at the 4,4'' or 3,3'' positions are used as building blocks for cyclophanes with intra-annular functionality. Syntheses are short and yields are good. The methodology, capable of wide structural variation, has been adapted to bi- and tricyclic cyclophanes.

  DOI：

  10.1016/0040-4020(94)01016-s

文献信息

• 2′-Substituted meta-terphenyls as building blocks for cyclophanes with intra-annular functionality
  作者：Harold Hart、Perumal Rajakumar

  DOI：10.1016/0040-4020(94)01016-s

  日期：1995.1

  2'-Substituted m-terphenyls containing chloromethyl and/or thiomethyl groups at the 4,4'' or 3,3'' positions are used as building blocks for cyclophanes with intra-annular functionality. Syntheses are short and yields are good. The methodology, capable of wide structural variation, has been adapted to bi- and tricyclic cyclophanes.