trans-2-ethyl-4-methyl-1,3-dioxolane | 1568-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: trans-2-ethyl-4-methyl-1,3-dioxolane
• 英文别名: trans-2-Aethyl-4-methyl-1,3-dioxolan；Jxw67B79AQ；(2R,4R)-2-ethyl-4-methyl-1,3-dioxolane
• CAS: 1568-99-6；1860-13-5；4359-46-0；122045-35-6；122045-36-7；122045-37-8；122045-38-9
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: CSZCLQLJVFLXLI-PHDIDXHHSA-N

物化性质

• 沸点：
  125.0±8.0 °C(Predicted)
• 密度：
  0.904±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  1
• 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：

  1,2-丙二醇 、 丙醛 在 对甲苯磺酸 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 cis-2-ethyl-4-methyl-1,3-dioxolane 、 trans-2-ethyl-4-methyl-1,3-dioxolane
  参考文献：
  名称：

  Identification of 1,3-Dioxanes and 1,3-Dioxolanes as Malodorous Compounds at Trace Levels in River Water, Groundwater, and Tap Water

  摘要：

  A study of organic compounds imparting odor problems in river waters and groundwaters has been conducted. The Tordera aquifer located in Barcelona and Girona (NE Spain) is the water supply reserve for many seasonally crowded villages on the coast. Closed loop stripping analysis (CLSA)and flavor profile analysis (FPA) have been employed as analytical tools to identify the compounds responsible for the odor complaints. The feasibility of purge-and-trap (P&T) has also been evaluated. The 2-alkyl-5,5-dimethyl-1,3-dioxanes and 2-alkyl-4-methyl-1,3-dioxolanes were the most significant compounds identified in river water and groundwater with a threshold odor of 10 ng/L for 2-ethyl-5,5-dimethyl-1,3-dioxane (2EDD), the most malodorous compound. The analyses were carried out by HRGC/MS, and the synthesized 1,3-dioxanes and dioxolanes were characterized by CI-MS and EI-MS/MS techniques. A company, currently manufacturing saturated and unsaturated polyester resins, located in the upper course of the river, produced these compounds as byproducts during the synthesis of resins. The pollution by dioxanes and dioxolanes affected all the aquifer and slowly diminished to the ppt levels when the company was forced to correctly treat their wastewaters. Additional examples of the presence of dioxanes and dioxolanes in wastewaters of other resin plants and also tap water of Barcelona are shown.

  DOI：

  10.1021/es9704085

文献信息

• Isomerization and Dimerization Reactions of Methyloxirane over Various Types of Zeolite and Zeotype
  作者：András Fási、Ágnes Gömöry、István Pálinkó、Imre Kiricsi

  DOI：10.1006/jcat.2001.3186

  日期：2001.6

  The ring-opening reactions of methyloxirane on various zeolites and zeotypes (HZSM-5, CuZSM-5, HY, AlMCM-41, SiMCM-41, and BMCM-41) were investigated at 363 K either in a pulse reactor or in a circulation system, in the presence of hydrogen or nitrogen. The acidic molecular sieves were found to be active in isomerization (the products are propionaldehyde and acetone) and dimerization (the products

  在363 K的脉冲反应器或循环中研究了甲基环氧乙烷在各种沸石和分子型（HZSM-5，CuZSM-5，HY，AlMCM-41，SiMCM-41和BMCM-41）上的开环反应氢或氮的存在下 发现酸性分子筛在异构化（产物为丙醛和丙酮）和二聚化（产物为二氧戊环和二恶烷衍生物）反应中具有活性。在氢或氮气氛中，脱氧的重要性不大。主要产物形成途径是在每种催化活性材料上二聚。这种转型路线受到密闭环境的青睐。
• Transformation of 1,2-diols over perfluorinated resinsulfonic acids (Nafion-H)
  作者：Imre Bucsi、Árpád Molnár、Mihály Bartók、George A. Olah

  DOI：10.1016/s0040-4020(01)85301-1

  日期：1994.1

  The transformations of 1,2-diols over perfluorinated resinsulfonic acids (Nafion-H) were studied, and correlations were examined between the structures of the investigated diols, the possible dehydration routes and the catalytic properties of Nafion-H. Comparisons were also made between the catalytic properties of Nafion-H and NaHX zeolite. Because of its stronger acidity, Nafion-H functions at temperatures considerably lower than those for the usual dehydrating catalysts, e.g. the zeolites. As is well established for other solid electrophilic catalysts, the dehydration of 1,2-diols mainly proceeds via the pinacol rearrangement. The lower temperatures and the stronger acidity of Nafion-H strongly favour the pinacol rearrangement versus 1,2-elimination The reaction conditions are also advantageous for the formation of substituted 1,3-dioxolanes in a secondary condensation step between the unreacted diol and the primarily formed carbonyl compounds. Nafion-H gradually deactivates during long use, but it can be partially reactivated by washing with acetone.
• PROCESS FOR THE REGENERATION OF A SUPPORTED NOBLE METAL CATALYST
  申请人：BASF SE

  公开号：US20160144353A1

  公开（公告）日：2016-05-26

  A process for the regeneration of a supported noble metal catalyst comprising contacting the catalyst with a liquid aqueous system at a temperature in the range of from 90 to 160° C., wherein the pH of the aqueous system is outside the range of from 6 to 8, separating the aqueous system from catalyst; and subjecting the catalyst to calcination.
• US9687838B2
  申请人：——

  公开号：US9687838B2

  公开（公告）日：2017-06-27
• Identification of 1,3-Dioxanes and 1,3-Dioxolanes as Malodorous Compounds at Trace Levels in River Water, Groundwater, and Tap Water
  作者：Jordi Romero、Francesc Ventura、Josep Caixach、Josep Rivera、Lluís Xavier Godé、Josep Ma. Niñerola

  DOI：10.1021/es9704085

  日期：1998.1.1

  A study of organic compounds imparting odor problems in river waters and groundwaters has been conducted. The Tordera aquifer located in Barcelona and Girona (NE Spain) is the water supply reserve for many seasonally crowded villages on the coast. Closed loop stripping analysis (CLSA)and flavor profile analysis (FPA) have been employed as analytical tools to identify the compounds responsible for the odor complaints. The feasibility of purge-and-trap (P&T) has also been evaluated. The 2-alkyl-5,5-dimethyl-1,3-dioxanes and 2-alkyl-4-methyl-1,3-dioxolanes were the most significant compounds identified in river water and groundwater with a threshold odor of 10 ng/L for 2-ethyl-5,5-dimethyl-1,3-dioxane (2EDD), the most malodorous compound. The analyses were carried out by HRGC/MS, and the synthesized 1,3-dioxanes and dioxolanes were characterized by CI-MS and EI-MS/MS techniques. A company, currently manufacturing saturated and unsaturated polyester resins, located in the upper course of the river, produced these compounds as byproducts during the synthesis of resins. The pollution by dioxanes and dioxolanes affected all the aquifer and slowly diminished to the ppt levels when the company was forced to correctly treat their wastewaters. Additional examples of the presence of dioxanes and dioxolanes in wastewaters of other resin plants and also tap water of Barcelona are shown.