4-(3-Carbamoylpropyl)-4-<3-(benzyloxy)propyl>-1,7-bis(benzyloxy)heptane | 144492-85-3

• 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: 4-(3-Carbamoylpropyl)-4-<3-(benzyloxy)propyl>-1,7-bis(benzyloxy)heptane
• 英文别名: 7-Phenylmethoxy-4,4-bis(3-phenylmethoxypropyl)heptanamide
• CAS: 144492-85-3
• 化学式: C₃₄H₄₅NO₄
• 分子量: 531.736
• InChiKey: DPDUDDDEPMTBAF-UHFFFAOYSA-N

物化性质

• 沸点：
  684.1±55.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  39
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(3-Carbamoylpropyl)-4-<3-(benzyloxy)propyl>-1,7-bis(benzyloxy)heptane 在 palladium on activated charcoal 氢氧化钾 、 硼烷四氢呋喃络合物 、 硫酸 、 氢溴酸 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 25.0~100.0 ℃ 、379.21 kPa 条件下， 反应 50.0h， 生成 Tetrakis(3-bromopropyl)methane
  参考文献：
  名称：

  Micelles series. 31. Building blocks for cascade polymers. 11. Synthesis of functionalized cascade cores: tetrakis(.omega.-bromoalkyl)methanes

  摘要：

  A series of tetrakis(bromoalkyl)methanes was synthesized and characterized. The tetrakis(3-bromopropyl)methane was chosen as ideal core to cascade polymers, since it undergoes facile substitution with bulky nucleophiles, denoting the need for at least three carbon atoms between the quaternary center and the leaving group to circumvent major steric problems caused by the core carbon. The readily available 4-nitro-4-(3-hydroxypropyl)-1,7-heptanediol was used to afford a novel entry to tetrakis(3-bromopropyl)methane as well as other building blocks to cascade polymers.

  DOI：

  10.1021/jo00056a023
• 作为产物：
  描述：

  4-(3-羟基丙基)-4-硝基-1,7-庚二醇 在 氢氧化钾 、 2,2'-azobis(4-methylpropionitrile) 、 双氧水 、 三正丁基氢锡 作用下， 以 乙醇 、 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 7.0h， 生成 4-(3-Carbamoylpropyl)-4-<3-(benzyloxy)propyl>-1,7-bis(benzyloxy)heptane
  参考文献：
  名称：

  Micelles series. 31. Building blocks for cascade polymers. 11. Synthesis of functionalized cascade cores: tetrakis(.omega.-bromoalkyl)methanes

  摘要：

  A series of tetrakis(bromoalkyl)methanes was synthesized and characterized. The tetrakis(3-bromopropyl)methane was chosen as ideal core to cascade polymers, since it undergoes facile substitution with bulky nucleophiles, denoting the need for at least three carbon atoms between the quaternary center and the leaving group to circumvent major steric problems caused by the core carbon. The readily available 4-nitro-4-(3-hydroxypropyl)-1,7-heptanediol was used to afford a novel entry to tetrakis(3-bromopropyl)methane as well as other building blocks to cascade polymers.

  DOI：

  10.1021/jo00056a023

文献信息

• Micelles series. 31. Building blocks for cascade polymers. 11. Synthesis of functionalized cascade cores: tetrakis(.omega.-bromoalkyl)methanes
  作者：George R. Newkome、Sadao Arai、Frank R. Fronczek、Charles N. Moorefield、Xiaofeng Lin、Claus D. Weis

  DOI：10.1021/jo00056a023

  日期：1993.2

  A series of tetrakis(bromoalkyl)methanes was synthesized and characterized. The tetrakis(3-bromopropyl)methane was chosen as ideal core to cascade polymers, since it undergoes facile substitution with bulky nucleophiles, denoting the need for at least three carbon atoms between the quaternary center and the leaving group to circumvent major steric problems caused by the core carbon. The readily available 4-nitro-4-(3-hydroxypropyl)-1,7-heptanediol was used to afford a novel entry to tetrakis(3-bromopropyl)methane as well as other building blocks to cascade polymers.