N,N-dibutyl-4-[2-[4-[2-[4-(dibutylamino)-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]phenyl]ethynyl]phenyl]ethynyl]-3-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]aniline | 367251-20-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dibutyl-4-[2-[4-[2-[4-(dibutylamino)-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]phenyl]ethynyl]phenyl]ethynyl]-3-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]aniline
• CAS: 367251-20-5
• 化学式: C₆₄H₈₈N₂Si₂
• 分子量: 941.587
• InChiKey: HJZWAUJIISBKAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.45
• 重原子数：
  68
• 可旋转键数：
  30
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N-dibutyl-4-[2-[4-[2-[4-(dibutylamino)-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]phenyl]ethynyl]phenyl]ethynyl]-3-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]aniline 在 吡啶 、 copper diacetate 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.0h， 以46%的产率得到
  参考文献：
  名称：

  Synthesis of Diynes and Tetraynes from in Situ Desilylation/Dimerization of Acetylenes

  摘要：

  [GRAPHICS]An efficient method for the in situ desillylation/oxidative dimerization of (trialkylsilyl)acetylenes is described. This protocol avoids the complications encountered with sensitive diynes by eliminating the deprotection and isolation steps. Various aromatic and alkyl diynes and tetraynes can be synthesized in a straightforward manner in good yields (82-99%) from TIPS-protected acetylenes. This method facilitates the efficient synthesis of novel tetrayne-bridged acetylenic cyclophanes 6 and 7 in a direct manner.

  DOI：

  10.1021/ol016414u
• 作为产物：
  描述：

  N,N-dibutyl-3-iodoaniline 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 正丁基锂 、 N,N,N-trimethylbenzenemethanaminium dichloroiodate 、 三乙胺 、 calcium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 39.58h， 生成 N,N-dibutyl-4-[2-[4-[2-[4-(dibutylamino)-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]phenyl]ethynyl]phenyl]ethynyl]-3-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]aniline
  参考文献：
  名称：

  Synthesis of Diynes and Tetraynes from in Situ Desilylation/Dimerization of Acetylenes

  摘要：

  [GRAPHICS]An efficient method for the in situ desillylation/oxidative dimerization of (trialkylsilyl)acetylenes is described. This protocol avoids the complications encountered with sensitive diynes by eliminating the deprotection and isolation steps. Various aromatic and alkyl diynes and tetraynes can be synthesized in a straightforward manner in good yields (82-99%) from TIPS-protected acetylenes. This method facilitates the efficient synthesis of novel tetrayne-bridged acetylenic cyclophanes 6 and 7 in a direct manner.

  DOI：

  10.1021/ol016414u

文献信息

• Synthesis of Diynes and Tetraynes from in Situ Desilylation/Dimerization of Acetylenes
  作者：Matthew A. Heuft、Shawn K. Collins、Glenn P. A. Yap、Alex G. Fallis

  DOI：10.1021/ol016414u

  日期：2001.9.1

  [GRAPHICS]An efficient method for the in situ desillylation/oxidative dimerization of (trialkylsilyl)acetylenes is described. This protocol avoids the complications encountered with sensitive diynes by eliminating the deprotection and isolation steps. Various aromatic and alkyl diynes and tetraynes can be synthesized in a straightforward manner in good yields (82-99%) from TIPS-protected acetylenes. This method facilitates the efficient synthesis of novel tetrayne-bridged acetylenic cyclophanes 6 and 7 in a direct manner.