1,1-二乙氧基戊烷 | 3658-79-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1-二乙氧基戊烷
• 中文别名: 戊烷,1,1-二乙氧基-；戊醛二乙基缩醛；正戊醛,二乙基缩醛
• 英文名称: 1,1-diethoxypentane
• 英文别名: Pentanal diethylacetal；1,1-Diethoxy-pentan
• CAS: 3658-79-5
• 化学式: C₉H₂₀O₂
• mdl: MFCD00129693
• 分子量: 160.257
• InChiKey: XCWKYQWOLSOBCC-UHFFFAOYSA-N

物化性质

• 沸点：
  226.18°C (rough estimate)
• 密度：
  0.8290
• LogP：
  2.550 (est)
• 保留指数：
  980

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• 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

安全信息

• 海关编码：
  2911000000
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  1,1-二乙氧基戊烷 在 6C₇₂H₁₁₂O₈*8H₂O 作用下， 以 氘代氯仿 、 水 为溶剂， 反应 1.0h， 生成 正戊醛
  参考文献：
  名称：

  Hexameric Resorcinarene Capsule is a Brønsted Acid: Investigation and Application to Synthesis and Catalysis

  摘要：

  Molecular capsules have attracted interest as simple enzyme mimetics and several examples of catalytic transformations in water-soluble metal ligand based systems have been reported. This is not the case for hydrogen-bond based molecular capsules, which in contrast can be employed in organic solvents. We describe herein our investigations of such a system: The resorcin[4]arene hexamer is one of the largest hydrogen bond-based self-assembled capsules and has been studied intensively due to its ready availability. We present evidence that the capsule acts as a reasonably strong Bronsted acid (pK(a) approximately 5.5-6). This finding explains the capsule's high affinity toward tertiary amines that are protonated and therefore encounter cation-pi interactions inside the cavity. We were able to translate this finding into a first synthetic application: A highly substrate-selective Wittig reaction. We also report that this property renders the capsule an efficient enzyme-like catalyst for substrate selective diethyl acetal hydrolysis.

  DOI：

  10.1021/ja4080375
• 作为产物：
  描述：

  2-(二乙氧基甲基)噻吩 在 乙醚 、 镍 作用下， 生成 1,1-二乙氧基戊烷
  参考文献：
  名称：

  Gol'dfarb; Konstantinow, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1957, p. 217,219; engl. Ausg. S. 229, 231

  摘要：

  DOI：

文献信息

• [EN] A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS<br/>[FR] NOUVELLE CLASSE D'AGONISTES DU RÉCEPTEUR MU-OPIOÏDE
  申请人：UNIV COLUMBIA

  公开号：WO2015138791A1

  公开（公告）日：2015-09-17

  The present invention provides a compound having the structure (I) or a pharmaceutically acceptable salt or ester thereof.

  本发明提供了一种具有结构（I）的化合物或其药用可接受的盐或酯。
• COLORING AGENTS AND METHODS OF USE THEREOF
  申请人：Living Proof, Inc.

  公开号：US20160106648A1

  公开（公告）日：2016-04-21

  Dyes, compositions comprising dyes and methods for using the same are provided.

  染料、包含染料的组合物以及使用这些染料的方法。
• Preparation of amphiphilic sorbitan monoethers through hydrogenolysis of sorbitan acetals and evaluation as bio-based surfactants
  作者：Charlotte Gozlan、Elsa Deruer、Marie-Christine Duclos、Valérie Molinier、Jean-Marie Aubry、Andreas Redl、Nicolas Duguet、Marc Lemaire

  DOI：10.1039/c5gc02131f

  日期：——

  Amphiphilic sorbitan ethers were prepared from sorbitol through hydrogenolysis of the corresponding sorbitan acetals and were evaluated as bio-based surfactants.

  通过对山梨醇的对应山梨醇缩醛进行氢解制备了两性山梨醇醚，并将其作为生物基表面活性剂进行评价。
• ANTIBACTERIAL COMPOSITION CONTAINING AN ISOMER MIXTURE OF MONOSACCHARIDE ALKYL MONOACETALS OR MONOETHERS
  申请人：TEREOS STARCH & SWEETENERS BELGIUM

  公开号：US20170347653A1

  公开（公告）日：2017-12-07

  A bactericidal or bacteriostatic composition comprising an isomer mixture of monosaccharide alkyl monoethers or monoacetals, its use in the treatment or prevention of Gram-positive bacterial infections, its use as a hygiene or dermatological product for external use and a method for disinfecting surfaces.

  一种杀菌或抑菌组合物，包括单糖烷基单醚或单缩醛的异构体混合物，其用于治疗或预防革兰氏阳性细菌感染，其用作外用卫生或皮肤学产品，以及一种消毒表面的方法。
• METHOD FOR PREPARING LONG-CHAIN ALKYL CYCLIC ACETALS MADE FROM SUGARS
  申请人：SYRAL BELGIUM NV

  公开号：US20160130277A1

  公开（公告）日：2016-05-12

  Long-chain alkyl cyclic acetals made from sugars are obtainable by a method that comprises the steps consisting of: dehydrating a hexitol in a monoanhydrohexitol substrate; reacting the monoanhydrohexitol substrate obtained with an alkyl aldehyde reagent containing 5 to 18 carbon atoms, by means of an acetalization reaction with a substrate/reagent ratio of between 5:1 and 1:1, or with a derivative of an alkyl aldehyde reagent containing 5 to 18 carbon atoms, by means of a transacetalization reaction with a substrate/reagent ratio of between 1:1 and 1:3, in the presence of acid catalyst and in an environment that is free of solvent or that consists of non-aqueous polar solvent; collecting the long-chain alkyl acetal of hexitan from the mixture obtained.

  这种方法包括以下步骤：将己醇脱水成为一种单醚己醇底物；将得到的单醚己醇底物与含有5至18个碳原子的烷基醛试剂反应，通过醚化反应，底物/试剂比在5:1至1:1之间，或者与含有5至18个碳原子的烷基醛试剂的衍生物反应，通过醚化反应，底物/试剂比在1:1至1:3之间，在酸催化剂存在下，在无溶剂或非水极性溶剂环境中进行；从得到的混合物中收集己糖的长链烷基醚。

表征谱图