12,30-Dithiaheptacyclo[30.2.2.27,10.12,6.114,18.119,23.124,28]dotetraconta-1(34),2(42),3,5,7(41),8,10(40),14(39),15,17,19,21,23(38),24,26,28(37),32,35-octadecaene-42-carbonitrile

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 12,30-Dithiaheptacyclo[30.2.2.27,10.12,6.114,18.119,23.124,28]dotetraconta-1(34),2(42),3,5,7(41),8,10(40),14(39),15,17,19,21,23(38),24,26,28(37),32,35-octadecaene-42-carbonitrile
• 化学式: C₄₁H₃₁NS₂
• 分子量: 601.836
• InChiKey: BEISOECFHYLNJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2'-cyano-4,4"-dimethyl-1,1':3',1"-terphenyl 在 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 、 乙醇 、 苯 为溶剂， 反应 44.0h， 生成 12,30-Dithiaheptacyclo[30.2.2.27,10.12,6.114,18.119,23.124,28]dotetraconta-1(34),2(42),3,5,7(41),8,10(40),14(39),15,17,19,21,23(38),24,26,28(37),32,35-octadecaene-42-carbonitrile
  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.