1-dodecyl 4-phenylbutyrate | 102702-71-6

• 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-dodecyl 4-phenylbutyrate
• 英文别名: 4-phenyl-butyric acid dodecyl ester；4-Phenyl-buttersaeure-dodecylester；Butyric acid, 4-phenyl-, dodecyl ester；dodecyl 4-phenylbutanoate
• CAS: 102702-71-6
• 化学式: C₂₂H₃₆O₂
• 分子量: 332.527
• InChiKey: YJLODNCCNAKLHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  24
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-dodecyl 4-phenylbutyrate 在 镍 作用下， 150.0 ℃ 、9.81 MPa 条件下， 生成 4-cyclohexyl-butyric acid dodecyl ester
  参考文献：
  名称：

  Matsuda; Kikkawa, Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1956, vol. 59, p. 895,897

  摘要：

  DOI：
• 作为产物：
  描述：

  十二烷醇 、 4-苯基丁酸 在 2C₃₃H₃₇N*H₂O₇S₂ 作用下， 以 水 为溶剂， 反应 6.0h， 生成 1-dodecyl 4-phenylbutyrate
  参考文献：
  名称：

  Hydrophobic N,N-Diarylammonium Pyrosulfates as Dehydrative Condensation Catalysts under Aqueous Conditions

  摘要：

  Oil-soluble N,N-diarylammonium pyrosulfates as nonsurfactant-type catalysts for the dehydrative ester condensation under aqueous conditions are described. Preheat treatment of dibasic sulfuric acid with bulky N,N-diarylamines generates water-tolerant salts of pyrosulfuric acid as active catalyst species. The present catalysts in water can also widely be applied to unusual selective esterifications and dehydrative glycosylation.

  DOI：

  10.1021/ol2027366

文献信息

• Matsuda; Kikkawa, Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1956, vol. 59, p. 895,897
  作者：Matsuda、Kikkawa

  DOI：——

  日期：——
• Hydrophobic <i>N,N-</i>Diarylammonium Pyrosulfates as Dehydrative Condensation Catalysts under Aqueous Conditions
  作者：Akira Sakakura、Yoshiki Koshikari、Matsujiro Akakura、Kazuaki Ishihara

  DOI：10.1021/ol2027366

  日期：2012.1.6

  Oil-soluble N,N-diarylammonium pyrosulfates as nonsurfactant-type catalysts for the dehydrative ester condensation under aqueous conditions are described. Preheat treatment of dibasic sulfuric acid with bulky N,N-diarylamines generates water-tolerant salts of pyrosulfuric acid as active catalyst species. The present catalysts in water can also widely be applied to unusual selective esterifications and dehydrative glycosylation.
• Matsuda; Kikkawa, Technology Reports of the Osaka University, 1957, vol. 7, p. 199,201, 202
  作者：Matsuda、Kikkawa

  DOI：——

  日期：——