4-Hydroxymethyl-2-n-propyl-1,3-dioxolan | 4379-23-1

• 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: 4-Hydroxymethyl-2-n-propyl-1,3-dioxolan
• 英文别名: 4-methanol-2-propyl-1,3-dioxolane；(2-propyl-[1,3]dioxolan-4-yl)-methanol；2-propyl-1,3-dioxolane-4-methanol；4-hydroxymethyl-2-propyl-1,3-dioxolane；1,3-Dioxolane-4-methanol, 2-propyl-；(2-propyl-1,3-dioxolan-4-yl)methanol
• CAS: 4379-23-1
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: MCDLJNJNGRFOOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  4-Hydroxymethyl-2-n-propyl-1,3-dioxolan 在 对甲苯磺酸 水 作用下， 生成 正丁醛 、 甘油
  参考文献：
  名称：

  Shevchuk; Podgornova; Piskaikina, Russian Journal of Applied Chemistry, 1999, vol. 72, # 5, p. 853 - 856

  摘要：

  DOI：
• 作为产物：
  描述：

  正丁醛 、 甘油 在 Co₃O₄ nanoparticles supported on CeO₂-MnO_x binary oxide 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 4-Hydroxymethyl-2-n-propyl-1,3-dioxolan
  参考文献：
  名称：

  NiO和Co 3 O 4负载氧化物催化剂上甘油催化缩醛化为生物燃料添加剂的实验结果和理论计算

  摘要：

  合成了一系列NiO和Co 3 O 4负载的氧化物催化剂，并研究了甘油与丁醛的缩醛化生产生物燃料的过程。催化剂用XRD，N 2表征。吸附，FTIR和拉曼光谱，SEM-EDS和HRTEM技术。深入研究了催化剂质量，甘油对丁醛摩尔比，反应温度和溶剂存在的影响。Ni和Co氧化物的分散性对固体的催化性能产生了明显的影响，其中AlTi和CeMn在所有测试条件下均具有活性。通过密度泛函理论（DFT）研究了反应的机理。在催化剂中，尽管形成了甘油低聚物，但是Co / CeMn和Ni / CeMn的高酸度促进甘油的乙缩醛化更有效地产生4-甲醇-2-丙基-1,3-二氧戊环。结构，酸度，通过丁醛反应对甘油进行无溶剂缩醛化反应，说明了具有催化性能的固体的形态和结构。DFT研究的理论计算表明，生产1,3-二氧戊环的途径更为有利。

  DOI：

  10.1016/j.mcat.2020.111186

文献信息

• 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。
• PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS
  申请人：Devon Thomas James

  公开号：US20120330066A1

  公开（公告）日：2012-12-27

  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 using a supported noble metal catalyst. The hydrogenolysis reaction can be carried out in the vapor phase and in the absence of a polyhydroxyl hydrocarbon co-solvent.

  在氢气存在下，使用支持的贵金属催化剂将环缩醛化合物和/或环缩酮化合物转化为相应的羟基醚烃反应产物的气相氢解反应。氢解反应可以在气相中进行，并且不需要多羟基烃共溶剂的存在。