53,55-Dioxa-7,16,32,41-tetrathiadecacyclo[24.24.7.22,5.218,21.227,30.243,46.09,14.022,57.034,39.047,51]pentahexaconta-1(51),2(65),3,5(64),9,11,13,18(63),19,21(62),22(57),23,25,27(61),28,30(60),34,36,38,43,45,47,49,58-tetracosaene-52,56-dione

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 53,55-Dioxa-7,16,32,41-tetrathiadecacyclo[24.24.7.22,5.218,21.227,30.243,46.09,14.022,57.034,39.047,51]pentahexaconta-1(51),2(65),3,5(64),9,11,13,18(63),19,21(62),22(57),23,25,27(61),28,30(60),34,36,38,43,45,47,49,58-tetracosaene-52,56-dione
• 化学式: C₅₉H₄₈O₄S₄
• 分子量: 949.292
• InChiKey: DHSYMZYWTPGETC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  67
• 可旋转键数：
  0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  154
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-Bis(4-methylphenyl)benzoyl chloride 在 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 sodium hydride 作用下， 以 四氯化碳 、 乙醇 、 苯 为溶剂， 反应 6.0h， 生成 53,55-Dioxa-7,16,32,41-tetrathiadecacyclo[24.24.7.22,5.218,21.227,30.243,46.09,14.022,57.034,39.047,51]pentahexaconta-1(51),2(65),3,5(64),9,11,13,18(63),19,21(62),22(57),23,25,27(61),28,30(60),34,36,38,43,45,47,49,58-tetracosaene-52,56-dione
  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.