2-(1-propyl)-5,5-dimethyl-1,3-dioxane | 876-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-(1-propyl)-5,5-dimethyl-1,3-dioxane
• 英文别名: 2-n-propyl-5,5-dimethyl-1,3-dioxane；2-propyl-5,5-dimethyl-1,3-dioxane；5,5-Dimethyl-2-propyl-1,3-dioxane；5,5-dimethyl-2-propyl-[1,3]dioxane；5,5-Dimethyl-2-propyl-1,3-dioxan
• CAS: 876-28-8
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: MPKIYLAWIVBZKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  2
• 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

• 作为反应物：
  描述：

  2-(1-propyl)-5,5-dimethyl-1,3-dioxane 在 B-MFI 作用下， 300.0 ℃ 、101.32 kPa 条件下， 生成 丙醛,3-丁氧基-2,2-二甲基-
  参考文献：
  名称：

  取代的1,3-二恶烷的多相催化合成新的3-烷氧基新戊酸

  摘要：

  从取代的1，3-二恶烷开始，研究了几种制备有趣和有价值的化合物3-烷氧基新戊酸的方法。尽管由于形成的中间体和产物的降解，将异构化和氧化相结合的一步法不成功，但是可以在异相催化剂存在下使用O 2作为氧化剂建立一种两步法环境友好的方法。该方法的范围通过使用几种1,3-二恶烷进行了测试，并对分离出的新戊酸衍生物进行了表征。

  DOI：

  10.1006/jcat.2000.2956
• 作为产物：
  描述：

  正丁醛 、 2,2-二甲基-1,3-丙二醇 在 硫酸 作用下， 反应 1.0h， 生成 2-(1-propyl)-5,5-dimethyl-1,3-dioxane
  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

• PRODUCTION OF CYCLIC ACETALS BY REACTIVE DISTILLATION
  申请人：Billodeaux Damon Ray

  公开号：US20120330034A1

  公开（公告）日：2012-12-27

  Cyclic acetals can be produced in a reactive distillation apparatus by combining a polyhydroxyl compound and an aldehyde. High concentrations of cyclic acetals are removed as liquid products from the column while water is removed as an overhead vapor stream.

  环状缩醛可以通过在反应蒸馏设备中将多羟基化合物和醛类化合物结合而制备。高浓度的环状缩醛作为液体产品从塔柱中移除，而水则作为顶部蒸汽流从中移除。
• PRODUCTION OF CYCLIC ACETALS OR KETALS USING SOLID ACID CATALYSTS
  申请人：Terrill Daniel Latham

  公开号：US20120330032A1

  公开（公告）日：2012-12-27

  A process for making a cyclic compounds such as cyclic acetal or cyclic ketones by feeding aldehyde or ketone compounds and polyhydroxyl compounds to a reaction zone at a molar ratio of polyhydroxyl compounds to aldehyde or ketone compounds of at least 3:1, reacting these compounds in the presence of a solid acid such as an acidic ion exchange resin, to generate a liquid reaction mixture without separating water from the reaction mixture as it is being formed in the reaction mixture, withdrawing the liquid reaction mixture from the reaction zone as a liquid product stream, and feeding the liquid reaction product stream to a distillation column to separate cyclic acetal compounds from unreacted polyhydroxyl compounds, and optionally recycling back the unreacted polyhydroxyl compounds to the reaction zone. The process produces cyclic acetal compounds in yields of at least 90% with long catalyst life. The process is also suitable to make cyclic ketals from ketone compounds.

  通过将醛或酮化合物和多羟基化合物以多羟基化合物与醛或酮化合物的摩尔比至少为3:1的比例送入反应区域，在固体酸的存在下（如酸性离子交换树脂）中反应这些化合物，生成液体反应混合物而不将水从反应混合物中分离出来，将液体反应混合物从反应区域中作为液体产品流撤出，并将液体反应产物流送入蒸馏塔以从未反应的多羟基化合物中分离出环状缩醛化合物，并可选择性地将未反应的多羟基化合物回收到反应区域。该过程以至少90%的产率生产环状缩醛化合物，并具有长寿命的催化剂。该过程也适用于从酮化合物制备环状缩酮。
• PRODUCTION OF CYCLIC ACETALS OR KETALS USING LIQUID-PHASE ACID CATALYSTS
  申请人：Terrill Daniel Latham

  公开号：US20120330033A1

  公开（公告）日：2012-12-27

  A process for making a cyclic compounds such as cyclic acetal or cyclic ketones by feeding aldehyde or ketone compounds and polyhydroxyl compounds to a reaction vessel at a molar ratio of polyhydroxyl compounds to aldehyde or ketone compounds of at least 3:1, reacting these compounds in the presence of a homogeneous acid catalyst to generate a liquid phase homogeneous reaction mixture containing the acid catalyst without separating water from the reaction mixture as it is being formed in the reaction mixture, withdrawing the liquid phase homogeneous reaction mixture from the reaction vessel as a liquid product stream, and feeding the liquid reaction product stream to a distillation column to separate cyclic acetal compounds from unreacted polyhydroxyl compounds, and optionally recycling back the unreacted polyhydroxyl compounds and/or acid catalyst to the reaction vessel. The process produces cyclic acetal compounds in high yields. The process is also suitable to make cyclic ketals from ketone compounds.

  通过将醛或酮化合物和多羟基化合物以多羟基化合物与醛或酮化合物的摩尔比至少为3:1的比例加入到反应容器中，通过在均相酸催化剂存在下反应这些化合物，生成含有酸催化剂的液相均相反应混合物，而不从反应混合物中分离水，将液相均相反应混合物从反应容器中作为液体产品流撤出，并将液体反应产物流送入蒸馏塔以将环状缩醛化合物与未反应的多羟基化合物分离，并可选择性地将未反应的多羟基化合物和/或酸催化剂回收到反应容器中。该过程以高产率生产环状缩醛化合物。该过程也适用于从酮化合物制备环状缩酮。
• PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS
  申请人：Billodeaux Damon Ray

  公开号：US20120330069A1

  公开（公告）日：2012-12-27

  A liquid phase hydrogenolysis of acetal compounds such as cyclic acetals and cyclic ketals are fed to a reaction zone and reacted in the presence of a noble metal catalyst supported on a carbon or silica support to make hydroxy ether mono-hydrocarbons in high selectivity, without the necessity to use acidic co-catalysts such as phosphorus containing acids or stabilizers such as hydroquinone.

  将环丙二醛和环酮等缩醛类化合物进行液相氢解反应，将其送入反应区，在贵金属催化剂的存在下，在碳或硅基负载物上反应，高选择性地制备羟基醚单一碳氢化合物，无需使用含磷酸类酸或稳定剂如羟基苯酚。
• CATALYSTS FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS
  申请人：Devon Thomas James

  公开号：US20120330067A1

  公开（公告）日：2012-12-27

  Catalyst compositions of palladium supported on alumina or zirconium oxide supports having low or no silicon dioxide contents and having a specific surface area or modified with alkali, alkaline earth, or phosphine oxide compounds are selective in a vapor phase hydrogenolysis reaction to convert cyclic acetal compounds and/or cyclic ketal compounds in the presence of hydrogen to their corresponding hydroxy ether hydrocarbon reaction products.

  在氧化铝或氧化锆载体上支撑的钯催化剂组合物，具有低或无二氧化硅含量，并具有特定比表面积或经过碱金属、碱土金属或膦氧化物化合物改性，在氢气存在下对环氧乙醛化合物和/或环酮化合物进行选择性蒸汽相氢解反应，将它们转化为相应的羟基醚烃反应产物。