5-pentyl-1,5-decanediol | 115407-64-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-pentyl-1,5-decanediol
• 英文别名: 5-Pentyldecane-1,5-diol
• CAS: 115407-64-2
• 化学式: C₁₅H₃₂O₂
• 分子量: 244.418
• InChiKey: BHDUGIKWMFSFLA-UHFFFAOYSA-N

物化性质

• 沸点：
  297.5±8.0 °C(predicted)
• 密度：
  0.901±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-pentyl-1,5-decanediol 在 potassium permanganate 、 苄基三丁基氯化铵 作用下， 以 水 、 苯 为溶剂， 反应 12.0h， 生成 Tetrahydro-6,6-dipentyl-2H-pyran-2-on
  参考文献：
  名称：

  Lehmann, Jochen; Marquardt, Norbert, Liebigs Annalen der Chemie, 1988, p. 827 - 832

  摘要：

  DOI：
• 作为产物：
  描述：

  二正戊基酮 、 4-氯丁基苯基醚 在 di(tert-butyl)-biphenyl 、 lithium 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.08h， 以21%的产率得到5-pentyl-1,5-decanediol
  参考文献：
  名称：

  3-Chloropropyl and 4-Chlorobutyl Phenyl Ethers as Sources of 1,3-Dilithiopropane and 1,4-Dilithiobutane:  Sequential Reaction with Carbonyl Compounds

  摘要：

  The reaction of 3-chloropropyl and 4-chlorobutyl phenyl ethers (1) with lithium powder and a catalytic amount of DTBB (5% molar) in THF at -78 degrees C followed by successive treatment with a carbonyl compound [(RRCO)-R-1-C-2 = (BuCHO)-C-t, Me2CO, (CH2)(5)CO, (-)-menthone] at -78 to 20 degrees C and, after 1.5 h at this temperature, with a second one [(RRCO)-R-3-C-4 = (BuCHO)-C-t, PhCHO, Me2CO, MeCOPrn, (CH2)(5)CO, (-)-menthone] at -78 degrees C leads,after hydrolysis with water, to the corresponding 1,5- and 1,6-diols (2). Because of the competition of two different reductive cleavages, 1,4- and 1,5-diols 3 were also obtained as side-reaction products.

  DOI：

  10.1021/jo000039m

文献信息

• LEHMANN, JOCHEN;MARQUARDT, NORBERT, LIEBIGS ANN. CHEM.,(1988) N 9, C. 827-831
  作者：LEHMANN, JOCHEN、MARQUARDT, NORBERT

  DOI：——

  日期：——
• 3-Chloropropyl and 4-Chlorobutyl Phenyl Ethers as Sources of 1,3-Dilithiopropane and 1,4-Dilithiobutane:  Sequential Reaction with Carbonyl Compounds
  作者：Francisco Foubelo、Sadiq A. Saleh、Miguel Yus

  DOI：10.1021/jo000039m

  日期：2000.6.1

  The reaction of 3-chloropropyl and 4-chlorobutyl phenyl ethers (1) with lithium powder and a catalytic amount of DTBB (5% molar) in THF at -78 degrees C followed by successive treatment with a carbonyl compound [(RRCO)-R-1-C-2 = (BuCHO)-C-t, Me2CO, (CH2)(5)CO, (-)-menthone] at -78 to 20 degrees C and, after 1.5 h at this temperature, with a second one [(RRCO)-R-3-C-4 = (BuCHO)-C-t, PhCHO, Me2CO, MeCOPrn, (CH2)(5)CO, (-)-menthone] at -78 degrees C leads,after hydrolysis with water, to the corresponding 1,5- and 1,6-diols (2). Because of the competition of two different reductive cleavages, 1,4- and 1,5-diols 3 were also obtained as side-reaction products.
• Lehmann, Jochen; Marquardt, Norbert, Liebigs Annalen der Chemie, 1988, p. 827 - 832
  作者：Lehmann, Jochen、Marquardt, Norbert

  DOI：——

  日期：——