1,4-Dibromo-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene | 952054-25-0

• 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: 1,4-Dibromo-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene
• 英文别名: 1,4-dibromo-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene
• CAS: 952054-25-0
• 化学式: C₅₆H₇₂Br₂
• 分子量: 904.996
• InChiKey: QHDAUHFNOVNXHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.5
• 重原子数：
  58
• 可旋转键数：
  32
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  、 1,4-Dibromo-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene 在 四(三苯基膦)钯 copper(l) iodide 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 以102 mg的产率得到1,4-Bis[2-[2-prop-1-ynyl-4,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]phenyl]ethynyl]-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene
  参考文献：
  名称：

  Carbon Networks Based on Benzocyclynes. 6. Synthesis of Graphyne Substructures via Directed Alkyne Metathesis

  摘要：

  Intramolecular ring closing alkyne metathesis afforded the graphyne biscyclyne (3) in high macrocyclization yield and good overall yield. This methodology also furnished the tris[12]cyclyne 4, which contains the longest linear diphenylacetylene conjugation pathway for any graphyne substructure based on the tribenzo[12]cyclyne core.

  DOI：

  10.1021/ol7014253
• 作为产物：
  描述：

  4-十四烷基苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 盐酸 、 甲醇 、 copper(l) iodide 、 potassium carbonate 、 二异丙胺 、 calcium carbonate 、 benzyl triethylammonium dichloroiodate 、 sodium nitrite 、 碘甲烷 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 25.0h， 生成 1,4-Dibromo-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene
  参考文献：
  名称：

  Carbon Networks Based on Benzocyclynes. 6. Synthesis of Graphyne Substructures via Directed Alkyne Metathesis

  摘要：

  Intramolecular ring closing alkyne metathesis afforded the graphyne biscyclyne (3) in high macrocyclization yield and good overall yield. This methodology also furnished the tris[12]cyclyne 4, which contains the longest linear diphenylacetylene conjugation pathway for any graphyne substructure based on the tribenzo[12]cyclyne core.

  DOI：

  10.1021/ol7014253

文献信息

• Carbon Networks Based on Benzocyclynes. 6. Synthesis of Graphyne Substructures via Directed Alkyne Metathesis
  作者：Charles A. Johnson、Yunyi Lu、Michael M. Haley

  DOI：10.1021/ol7014253

  日期：2007.9.1

  Intramolecular ring closing alkyne metathesis afforded the graphyne biscyclyne (3) in high macrocyclization yield and good overall yield. This methodology also furnished the tris[12]cyclyne 4, which contains the longest linear diphenylacetylene conjugation pathway for any graphyne substructure based on the tribenzo[12]cyclyne core.