2-(1-甲基庚基)-[1,3]二恶烷 | 55169-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 2-(1-甲基庚基)-[1,3]二恶烷
• 英文名称: 2-(1-methyl-heptyl)-[1,3]dioxane
• 英文别名: 2-(1-Methyl-heptyl)-1,3-dioxan；2-Octan-2-yl-1,3-dioxane；2-octan-2-yl-1,3-dioxane
• CAS: 55169-85-2
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: GGGXRQMZONLXQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  辛烯 、 一氧化碳 、 1,3-丙二醇 在 十二羰基三钌 、 四乙基氯化铵 、 氢气 、 溶剂黄146 作用下， 140.0 ℃ 、2.0 MPa 条件下， 反应 20.0h， 生成 2-(1-甲基庚基)-[1,3]二恶烷 、 2-octyl-[1,3]dioxane
  参考文献：
  名称：

  Tandem hydroformylation–acetalization with a ruthenium catalyst immobilized in ionic liquids

  摘要：

  For the first time, a ruthenium catalyzed hydroformylation acetalization reaction of olefins is presented. The tandem reaction proceeds well with 1,2- or 1,3-diols, trapping the intermediary formed aldehydes as cyclic acetals. In this manner the hydrogenation of the aldehydes to the corresponding alcohols usually observed with Ru catalysts is prevented. The optimized catalytic system consisting of Ru catalyst, ionic liquids, acetic acid and ammonium salt can be recycled and reused for at least two further runs. Interestingly, styrenes as substrate give preferentially terminal acetals. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2014.04.009

文献信息

• Formation of Acetals under Rhodium-Catalyzed Hydroformylation Conditions in Alcohols
  作者：Olivier Diebolt、Clément Cruzeuil、Christian Müller、Dieter Vogt

  DOI：10.1002/adsc.201100707

  日期：2012.3

  Hydroformylation of terminal alkenes in alcohol solvents leads to the selective formation of the corresponding acetals. The Xantphos ligand gave the best results as well as acetal selectivities higher than 99% and linear/branched ratios of up to 52 were obtained. The scope of the reaction was studied. Acetals were found to be unreactive under hydroaminomethylation conditions.

  在醇溶剂中末端烯烃的加氢甲酰化导致相应缩醛的选择性形成。Xantphos配体提供了最佳结果，乙缩醛选择性高于99％，线性/支化比高达52。研究了反应范围。发现缩醛在氢氨甲基化条件下不反应。