16,17-dibromo-6,7-bis(dodecyloxy)-13,20-diphenylnaphtho[1,2,3,4-fgh]trinaphthylene | 1154754-81-0

• 英文名称: 16,17-dibromo-6,7-bis(dodecyloxy)-13,20-diphenylnaphtho[1,2,3,4-fgh]trinaphthylene
• 英文别名: 6,7-Dibromo-23,24-didodecoxy-13,34-diphenylnonacyclo[18.14.2.02,11.04,9.012,36.014,19.021,26.027,35.028,33]hexatriaconta-1(34),2(11),3,5,7,9,12,14,16,18,20(36),21,23,25,27(35),28,30,32-octadecaene
• CAS: 1154754-81-0
• 化学式: C₇₂H₇₄Br₂O₂
• 分子量: 1131.19
• InChiKey: SKKHIOKMXJVJSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.8
• 重原子数：
  76
• 可旋转键数：
  26
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  16,17-dibromo-6,7-bis(dodecyloxy)-13,20-diphenylnaphtho[1,2,3,4-fgh]trinaphthylene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 以96%的产率得到2,3-dibromo-14,15-bis(dodecyloxy)trinaphtho[1,2,3,4-fgh:1',2',3',4'-pqr:1'',2'',3'',4''-za1b1]trinaphthylene
  参考文献：
  名称：

  Expeditious Synthesis of Contorted Hexabenzocoronenes

  摘要：

  Contorted hexabenzocoronenes (HBCs) have been synthesized in an expedited manner utilizing a double Barton-Kellogg olefination reaction and a subsequent Scholl cyclization. The scope of both transformations was investigated using a series of pentacene quinones and double olefin precursors. The utility,of these reactions to help create functionalized and oligomeric HBCs in a rapid manner is demonstrated.

  DOI：

  10.1021/ol9001834
• 作为产物：
  描述：

  2,3-dibromo-6,13-bis(diphenylmethylene)-9,10-bis(dodecyloxy)-6,13-dihydropentacene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 0.58h， 以79%的产率得到16,17-dibromo-6,7-bis(dodecyloxy)-13,20-diphenylnaphtho[1,2,3,4-fgh]trinaphthylene
  参考文献：
  名称：

  Expeditious Synthesis of Contorted Hexabenzocoronenes

  摘要：

  Contorted hexabenzocoronenes (HBCs) have been synthesized in an expedited manner utilizing a double Barton-Kellogg olefination reaction and a subsequent Scholl cyclization. The scope of both transformations was investigated using a series of pentacene quinones and double olefin precursors. The utility,of these reactions to help create functionalized and oligomeric HBCs in a rapid manner is demonstrated.

  DOI：

  10.1021/ol9001834