环己烷羧酸十二烷基酯 | 94107-45-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 环己烷羧酸十二烷基酯
• 英文名称: dodecyl cyclohexanecarboxylate
• 英文别名: n-dodecyl cyclohexanecarboxylate；1-dodecyl cyclohexanecarboxylate；cyclohexanecarboxylic acid dodecyl ester；Cyclohexancarbonsaeure-dodecylester
• CAS: 94107-45-6
• 化学式: C₁₉H₃₆O₂
• 分子量: 296.494
• InChiKey: VKXPLQQDMIORSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916209090

反应信息

• 作为产物：
  描述：

  十二烷醇 、 环己甲酸 在 2C₃₃H₃₇N*H₂O₇S₂ 作用下， 以 水 为溶剂， 生成 环己烷羧酸十二烷基酯
  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

• Oxidative Alkane C−H Alkoxycarbonylation
  作者：Lijun Lu、Renyi Shi、Luyao Liu、Jingwen Yan、Fangling Lu、Aiwen Lei

  DOI：10.1002/chem.201602791

  日期：2016.10.4

  compounds is an attractive prospect in organic synthesis. In particular, the combination of C(sp3)−H activation and oxidative carbonylation involving alkanes and CO gas is a promising and efficient method to synthesize carbonyl derivatives. However, due to the high C−H bond dissociation energy and low polarity of unactivated alkanes, the carbonylation of unactivated C(sp3)−H bonds still remains a great challenge

  在有机合成中，直接利用化学原料构造有价值的化合物是有吸引力的前景。特别地，C（sp 3）-H活化和涉及烷烃和CO气体的氧化羰基化的组合是合成羰基衍生物的有前途和有效的方法。然而，由于高C H键解离能和未活化烷烃的低极性，未活化C（sp 3的羰基化）-H键仍然是一个巨大的挑战。在这项工作中，我们介绍了烷烃的钯催化自由基氧化烷氧基羰基化反应，以制备许多烷基羧酸盐。各种烷烃和醇类相容，可产生所需的产物，产率高达94％。值得注意的是，在标准反应条件下，乙烷（天然气的一种成分）可以用作底物。初步的机理研究表明，钯催化的自由基过程可能存在。
• Dehydration Reactions in Water. Brønsted Acid−Surfactant-Combined Catalyst for Ester, Ether, Thioether, and Dithioacetal Formation in Water
  作者：Kei Manabe、Shinya Iimura、Xiang-Min Sun、Shū Kobayashi

  DOI：10.1021/ja026241j

  日期：2002.10.1

  Dehydration reactions in water have been realized by a surfactant-type catalyst, dodecylbenzenesulfonic acid (DBSA). These reactions include dehydrative esterification, etherification, thioetherification, and dithioacetalization. In these reactions, DBSA and substrates form emulsion droplets whose interior is hydrophobic enough to exclude water molecules generated during the reactions. Detailed studies on the esterification revealed that the yields of esters were affected by temperature, amounts of DBSA used, and the substrates. Esters were obtained in high yields for highly hydrophobic substrates. On the basis of the difference in hydrophobicity of the substrates, unique selective esterification and etherification in water were attained. Furthermore, chemospecific, three-component reactions under DBSA-catalyzed conditions were also found to proceed smoothly. This work not only may lead to environmentally benign systems but also will provide a new aspect of organic chemistry in water.
• Dehydration Reactions in Water. Surfactant-Type Brønsted Acid-Catalyzed Direct Esterification of Carboxylic Acids with Alcohols in an Emulsion System
  作者：Kei Manabe、Xiang-Min Sun、Shū Kobayashi

  DOI：10.1021/ja016338q

  日期：2001.10.1
• MARKO, ISTVAN E.;MEKHALFIA, ABDELAZIZ;OLLIS, W. DAVID, SYNLETT.,(1990) N, C. 347-348
  作者：MARKO, ISTVAN E.、MEKHALFIA, ABDELAZIZ、OLLIS, W. DAVID

  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.