pentadecan-1,12-diol | 606939-09-7

• 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: pentadecan-1,12-diol
• 英文别名: Pentadecane-1,12-diol
• CAS: 606939-09-7
• 化学式: C₁₅H₃₂O₂
• 分子量: 244.418
• InChiKey: SQMCLAONLQREHD-UHFFFAOYSA-N

物化性质

• 熔点：
  56.0-58.0 °C
• 沸点：
  358.4±10.0 °C(Predicted)
• 密度：
  0.900±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  17
• 可旋转键数：
  13
• 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：

  pentadecan-1,12-diol 在 吡啶 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.5h， 生成 13-hydroxyhexadecanoic acid methyl ester
  参考文献：
  名称：

  Products of Cytochrome P450_BioI (CYP107H1)-Catalyzed Oxidation of Fatty Acids

  摘要：

  [GRAPHICS]Oxidation of tetradecanoic and hexadecanoic acids by cytochrome P450(Biol) (CYP107H1) produces mainly the 11-, 12-, and 13-hydroxy C-14 fatty acids and the 11- to 15-hydroxy C-16 fatty acids, respectively. In contrast to previous reports, terminal hydroxylation is not observed. The enantiospecificity of fatty acid hydroxylation by P450(Biol) was also determined, and the enzyme was shown to be moderately selective for production of the (R)-alcohols.

  DOI：

  10.1021/ol035254e
• 作为产物：
  描述：

  15-(tetrahydropyran-2'-yloxy)pentadecan-4-ol 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以94%的产率得到pentadecan-1,12-diol
  参考文献：
  名称：

  Products of Cytochrome P450_BioI (CYP107H1)-Catalyzed Oxidation of Fatty Acids

  摘要：

  [GRAPHICS]Oxidation of tetradecanoic and hexadecanoic acids by cytochrome P450(Biol) (CYP107H1) produces mainly the 11-, 12-, and 13-hydroxy C-14 fatty acids and the 11- to 15-hydroxy C-16 fatty acids, respectively. In contrast to previous reports, terminal hydroxylation is not observed. The enantiospecificity of fatty acid hydroxylation by P450(Biol) was also determined, and the enzyme was shown to be moderately selective for production of the (R)-alcohols.

  DOI：

  10.1021/ol035254e

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.
• [EN] ALKYL DIOLS FOR CRUDE OIL TREATMENT<br/>[FR] ALKYL DIOLS POUR LE TRAITEMENT DE PÉTROLE BRUT
  申请人：ECOLAB USA INC

  公开号：WO2017143132A1

  公开（公告）日：2017-08-24

  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.