4,4'-(ethyne-1,2-diyl)bis(4,1-phenylene) bis(4-methylbenzenesulfonate) | 1338725-51-1

• 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: 4,4'-(ethyne-1,2-diyl)bis(4,1-phenylene) bis(4-methylbenzenesulfonate)
• 英文别名: [4-[2-[4-(4-Methylphenyl)sulfonyloxyphenyl]ethynyl]phenyl] 4-methylbenzenesulfonate；[4-[2-[4-(4-methylphenyl)sulfonyloxyphenyl]ethynyl]phenyl] 4-methylbenzenesulfonate
• CAS: 1338725-51-1
• 化学式: C₂₈H₂₂O₆S₂
• 分子量: 518.611
• InChiKey: HZBDAZZJOOTFDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲基苯磺酸-4-碘苯酯 、 calcium carbide 在 copper(l) iodide 、 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 乙腈 为溶剂， 以99.4%的产率得到4,4'-(ethyne-1,2-diyl)bis(4,1-phenylene) bis(4-methylbenzenesulfonate)
  参考文献：
  名称：

  Calcium carbide as a cost-effective starting material for symmetrical diarylethynes via Pd-catalyzed coupling reaction

  摘要：

  A convenient and cost-effective synthetic method for symmetrical diarylethynes from inexpensive calcium carbide and aryl iodide has been developed. The reaction not only proceeds with high yield and selectivity but also tolerates a wide range of functional groups. Application of this reaction has enabled the synthesis of highly functionalized oligo (phenyleneethynylenes) to be accomplished. (C) 2 011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.042

文献信息

• Calcium carbide as a cost-effective starting material for symmetrical diarylethynes via Pd-catalyzed coupling reaction
  作者：Padon Chuentragool、Kunnigar Vongnam、Paitoon Rashatasakhon、Mongkol Sukwattanasinitt、Sumrit Wacharasindhu

  DOI：10.1016/j.tet.2011.08.042

  日期：2011.10

  A convenient and cost-effective synthetic method for symmetrical diarylethynes from inexpensive calcium carbide and aryl iodide has been developed. The reaction not only proceeds with high yield and selectivity but also tolerates a wide range of functional groups. Application of this reaction has enabled the synthesis of highly functionalized oligo (phenyleneethynylenes) to be accomplished. (C) 2 011 Elsevier Ltd. All rights reserved.