4-amino-3',5'-di-tert-butyl-3-iodobiphenyl | 865096-74-8

• 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-amino-3',5'-di-tert-butyl-3-iodobiphenyl
• 英文别名: 4-(3,5-Ditert-butylphenyl)-2-iodoaniline
• CAS: 865096-74-8
• 化学式: C₂₀H₂₆IN
• 分子量: 407.338
• InChiKey: BBVACEBRPARDKO-UHFFFAOYSA-N

物化性质

• 熔点：
  144.4-144.8 °C
• 沸点：
  432.1±45.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-amino-3',5'-di-tert-butyl-3-iodobiphenyl 在 四(三苯基膦)钯 盐酸 、 copper(l) iodide 、 二异丙胺 、 sodium nitrite 、 碘甲烷 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 20.25h， 生成 2-[5-(3,5-Ditert-butylphenyl)-2-iodophenyl]ethynyl-tri(propan-2-yl)silane
  参考文献：
  名称：

  Carbon Networks Based on Dehydrobenzoannulenes. 5. Extension of Two-Dimensional Conjugation in Graphdiyne Nanoarchitectures

  摘要：

  The synthesis and optical properties of a series of multinanometer-sized substructures of the phenyl-diacetylene carbon allotrope, graphdiyne, are described. These molecules are among the largest and most complex annulenic systems yet prepared, with extension of linear conjugation in two-dimensions to over twice that of any previously reported planar macrocycle. The graphdiyne substructures are constructed through convergent syntheses, taking advantage of three key intermediates and silane-protected phenylacetylenes. Intramolecular macrocyclization of alpha,omega-polyyne precursors via Cu-niediated or Pd-catalyzed oxidative homocoupling affords five new graphdiyne "oligomers" possessing two to flour fused 1.8-membered rings. The attempted synthesis of a six-ring analogue is also reported.

  DOI：

  10.1021/jo050926v
• 作为产物：
  描述：

  3,5-二叔丁基溴苯 在 盐酸 、 tin 、 叔丁基锂 、 benzyl triethylammonium dichloroiodate 作用下， 以 甲醇 、 乙醚 、 乙醇 、 二氯甲烷 、 水 、 正戊烷 为溶剂， 反应 43.0h， 生成 4-amino-3',5'-di-tert-butyl-3-iodobiphenyl
  参考文献：
  名称：

  Carbon Networks Based on Dehydrobenzoannulenes. 5. Extension of Two-Dimensional Conjugation in Graphdiyne Nanoarchitectures

  摘要：

  The synthesis and optical properties of a series of multinanometer-sized substructures of the phenyl-diacetylene carbon allotrope, graphdiyne, are described. These molecules are among the largest and most complex annulenic systems yet prepared, with extension of linear conjugation in two-dimensions to over twice that of any previously reported planar macrocycle. The graphdiyne substructures are constructed through convergent syntheses, taking advantage of three key intermediates and silane-protected phenylacetylenes. Intramolecular macrocyclization of alpha,omega-polyyne precursors via Cu-niediated or Pd-catalyzed oxidative homocoupling affords five new graphdiyne "oligomers" possessing two to flour fused 1.8-membered rings. The attempted synthesis of a six-ring analogue is also reported.

  DOI：

  10.1021/jo050926v