methyl 4,4"-bis(mercaptomethyl)-1,1':3',1"-terphenyl-2'-carboxylate | 167500-18-7

• 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: methyl 4,4"-bis(mercaptomethyl)-1,1':3',1"-terphenyl-2'-carboxylate
• 英文别名: Methyl 2,6-bis[4-(sulfanylmethyl)phenyl]benzoate
• CAS: 167500-18-7
• 化学式: C₂₂H₂₀O₂S₂
• 分子量: 380.532
• InChiKey: OQKRFAGISHLZCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  28.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4,4"-bis(mercaptomethyl)-1,1':3',1"-terphenyl-2'-carboxylate 、 1-(Bromomethyl)-4-[3-[4-(bromomethyl)phenoxy]-2,2-bis[[4-(bromomethyl)phenoxy]methyl]propoxy]benzene 在 氢氧化钾 作用下， 以 乙醇 、 正己烷 为溶剂， 反应 12.0h， 以23%的产率得到Dimethyl 20,20'-spirobi[18,22-dioxa-12,28-dithiahexacyclo[28.2.2.27,10.214,17.223,26.12,6]hentetraconta-1(32),2(41),3,5,7(40),8,10(39),14(38),15,17(37),23,25,30,33,35-pentadecaene]-41,41'-dicarboxylate
  参考文献：
  名称：

  The synthesis of spirophanes from a pentaerythrityl core

  摘要：

  Various thia- and oxa-spirobicyclic cyclophanes were synthesized from a pentaerythrityl building block and appropriate dithiols/bisphenols. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.085
• 作为产物：
  描述：

  2,6-双(4-甲基苯基)苯甲酸 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 乙二胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 四氯化碳 、 水 为溶剂， 反应 60.0h， 生成 methyl 4,4"-bis(mercaptomethyl)-1,1':3',1"-terphenyl-2'-carboxylate
  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.
• The synthesis of spirophanes from a pentaerythrityl core
  作者：Perumal Rajakumar、Karuppannan Sekar、Kannupal Srinivasan

  DOI：10.1016/j.tetlet.2005.01.085

  日期：2005.3

  Various thia- and oxa-spirobicyclic cyclophanes were synthesized from a pentaerythrityl building block and appropriate dithiols/bisphenols. (C) 2005 Elsevier Ltd. All rights reserved.