1,5-hexadecanediol | 39516-50-2

• 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: 1,5-hexadecanediol
• 英文别名: 1,5-Dihydroxyhexadecan；Hexadecane-1,5-diol
• CAS: 39516-50-2
• 化学式: C₁₆H₃₄O₂
• 分子量: 258.445
• InChiKey: XHDHCKJIZMRODP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  18
• 可旋转键数：
  14
• 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

• 作为产物：
  描述：

  十二醛 、 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20%的产率得到1,5-hexadecanediol
  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

• ALKYL DIOLS FOR CRUDE OIL TREATMENT
  申请人：Ecolab USA Inc.

  公开号：US20170233666A1

  公开（公告）日：2017-08-17

  The present invention generally relates to methods and compounds for reducing paraffin or wax deposition in crude oil during processing, storage, or transportation. More specifically, the method comprises contacting the crude oil with a composition in an amount effective to reduce paraffin or was deposition.
• 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.