dibenzyl hexapropyleneglycol | 635677-62-2

• 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: dibenzyl hexapropyleneglycol
• 英文别名: 3-[3-[3-[3-[3-(3-Phenylmethoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxymethylbenzene
• CAS: 635677-62-2
• 化学式: C₃₂H₅₀O₇
• 分子量: 546.745
• InChiKey: CJVJRVZIJGIPBC-UHFFFAOYSA-N

物化性质

• 沸点：
  609.4±55.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  39
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  dibenzyl hexapropyleneglycol 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以81%的产率得到hexapropyleneglycol
  参考文献：
  名称：

  Preparation of Discrete Oligoethers:  Synthesis of Pentabutylene Glycol and Hexapropylene Glycol by Two Complementary Methods

  摘要：

  Two experimentally facile methods for the preparation of discrete oligoethers are reported. The first involves an iterative sequence of oxidation, acetal formation, and reductive ring opening for the synthesis of penta-1,4-butylene glycol. The second method is also iterative, comprising phase-transfer etherification and end-group deprotection to form hexa-1,3-propylene glycol. These methods offer significantly improved yields and purification protocols over previously reported syntheses.

  DOI：

  10.1021/jo034728k
• 作为产物：
  描述：

  3-苄氧基-1-丙醇 在 吡啶 、 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 水 、 苯 为溶剂， 反应 39.0h， 生成 dibenzyl hexapropyleneglycol
  参考文献：
  名称：

  Preparation of Discrete Oligoethers:  Synthesis of Pentabutylene Glycol and Hexapropylene Glycol by Two Complementary Methods

  摘要：

  Two experimentally facile methods for the preparation of discrete oligoethers are reported. The first involves an iterative sequence of oxidation, acetal formation, and reductive ring opening for the synthesis of penta-1,4-butylene glycol. The second method is also iterative, comprising phase-transfer etherification and end-group deprotection to form hexa-1,3-propylene glycol. These methods offer significantly improved yields and purification protocols over previously reported syntheses.

  DOI：

  10.1021/jo034728k

文献信息

• Preparation of Discrete Oligoethers:  Synthesis of Pentabutylene Glycol and Hexapropylene Glycol by Two Complementary Methods
  作者：Erin C. Knuf、Jian-Kang Jiang、Mary S. Gin

  DOI：10.1021/jo034728k

  日期：2003.11.1

  Two experimentally facile methods for the preparation of discrete oligoethers are reported. The first involves an iterative sequence of oxidation, acetal formation, and reductive ring opening for the synthesis of penta-1,4-butylene glycol. The second method is also iterative, comprising phase-transfer etherification and end-group deprotection to form hexa-1,3-propylene glycol. These methods offer significantly improved yields and purification protocols over previously reported syntheses.