2-(4-nitrophenyl)-1,3-dibromo-2-(bromomethyl)propane | 266675-56-3

• 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: 2-(4-nitrophenyl)-1,3-dibromo-2-(bromomethyl)propane
• 英文别名: 1-[1,3-Dibromo-2-(bromomethyl)propan-2-yl]-4-nitrobenzene
• CAS: 266675-56-3
• 化学式: C₁₀H₁₀Br₃NO₂
• 分子量: 415.907
• InChiKey: GQIPXGABJYICDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  potassium thioacyanate 、 2-(4-nitrophenyl)-1,3-dibromo-2-(bromomethyl)propane 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以51%的产率得到2-(4-nitrophenyl)-1,3-dithiocyano-2-(thiocyanomethyl)propane
  参考文献：
  名称：

  Ferrocenyl Derivatives with One, Two, or Three Sulfur-Containing Arms for Self-Assembled Monolayer Formation

  摘要：

  Self-assembled monolayers of electroactive molecules can form on gold electrodes if the molecules include a sulfur-containing group to coordinate with the gold surface. We have prepared a molecule with a tripod of sulfur groups that has the potential of fixing the geometry of the molecule relative to the gold surface. The target (3) contained the good one-electron donor ferrocene connected through a benzene spacer to an isobutane tripod, with each arm of the,tripod ending in a methylthio group. Analogous compounds with one (1) and two (2) coordinating arms were also prepared.

  DOI：

  10.1021/jo9909812
• 作为产物：
  描述：

  2-(hydroxymethyl)-2-(4-nitrophenyl)-1,3-propanediol 在 溴 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 1.5h， 以68%的产率得到2-(4-nitrophenyl)-1,3-dibromo-2-(bromomethyl)propane
  参考文献：
  名称：

  Ferrocenyl Derivatives with One, Two, or Three Sulfur-Containing Arms for Self-Assembled Monolayer Formation

  摘要：

  Self-assembled monolayers of electroactive molecules can form on gold electrodes if the molecules include a sulfur-containing group to coordinate with the gold surface. We have prepared a molecule with a tripod of sulfur groups that has the potential of fixing the geometry of the molecule relative to the gold surface. The target (3) contained the good one-electron donor ferrocene connected through a benzene spacer to an isobutane tripod, with each arm of the,tripod ending in a methylthio group. Analogous compounds with one (1) and two (2) coordinating arms were also prepared.

  DOI：

  10.1021/jo9909812