1-ethyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane | 4171-94-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-ethyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
• 英文别名: 1-Ethyl-4-methyl-2,6,7-trioxabicyclo(2.2.2)octane
• CAS: 4171-94-2
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: VEMOPKXHRIMRPR-UHFFFAOYSA-N

物化性质

• 沸点：
  60-65 °C(Press: 3 Torr)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-ethyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane 在 水 作用下， 以 四氢呋喃 为溶剂， 生成 Propionic acid 3-hydroxy-2-hydroxymethyl-2-methyl-propyl ester
  参考文献：
  名称：

  Isomerization of cyclic ethers having a carbonyl functional group: new entries into different heterocyclic compounds

  摘要：

  Oxiranes (epoxides) and oxetanes having a carbonyl functional group are chemoselectively isomerized to different heterocyclic compounds via Lewis acid-promoted 1,6- and 1,7-intramolecular nucleophilic attacks of the carbonyl oxygen on the electron-deficient carbon neighboring the oxonium oxygen: for example, cyclic imides to bicyclic acetals, esters to bicyclic orthoesters, sec-amides to 4,5-dihydrooxazole or 5,6-dihydro-4H-1,3-oxazines, and tert-amides to bicyclic acetals or azetidines. The intramolecular attack of a 1,5-positioned carbonyl oxygen predominantly results in a propagating-end isomerization polymerization. On the other hand, cyclic ethers having a 1,8- or farther positioned carbonyl group undergo conventional ring-opening polymerization. A tetrahydrofuran (oxolane) ring does not open, even with a 1,6-positioned carbonyl group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00701-9
• 作为产物：
  描述：

  3-甲基-3-羟甲基氧杂环丁烷 在 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 生成 1-ethyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
  参考文献：
  名称：

  Isomerization of cyclic ethers having a carbonyl functional group: new entries into different heterocyclic compounds

  摘要：

  Oxiranes (epoxides) and oxetanes having a carbonyl functional group are chemoselectively isomerized to different heterocyclic compounds via Lewis acid-promoted 1,6- and 1,7-intramolecular nucleophilic attacks of the carbonyl oxygen on the electron-deficient carbon neighboring the oxonium oxygen: for example, cyclic imides to bicyclic acetals, esters to bicyclic orthoesters, sec-amides to 4,5-dihydrooxazole or 5,6-dihydro-4H-1,3-oxazines, and tert-amides to bicyclic acetals or azetidines. The intramolecular attack of a 1,5-positioned carbonyl oxygen predominantly results in a propagating-end isomerization polymerization. On the other hand, cyclic ethers having a 1,8- or farther positioned carbonyl group undergo conventional ring-opening polymerization. A tetrahydrofuran (oxolane) ring does not open, even with a 1,6-positioned carbonyl group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00701-9

文献信息

• Reductive Alkylation of Amines with Carboxylic Ortho Esters
  作者：Renat Kadyrov、Konrad Moebus

  DOI：10.1002/adsc.202000510

  日期：2020.8.19

  carboxylic ortho esters could be used as an alkylating agent in the reductive alkylation of amines. A variety of amines, including amino acid esters, were alkylated affording mono‐alkylated products with high selectivity in practical to high yields using standard heterogeneous catalysts. By applying acyclic ortho esters alkylation was completed at room temperature.

  我们首次证明了羧酸原酸酯可以在胺的还原烷基化中用作烷基化剂。使用标准的多相催化剂，将多种胺（包括氨基酸酯）进行烷基化，从而以高产率实际可行地以高选择性生成单烷基化产物。通过施加无环原酸酯，在室温下完成烷基化。
• [EN] FLUORINATED ACRYLATES AS ADDITIVES FOR Li-ION BATTERY ELECTROLYTES<br/>[FR] ACRYLATES FLUORÉS UTILISÉS EN TANT QU'ADDITIFS POUR DES ELECTROLYTES DE BATTERIES LITHIUM-ION
  申请人：BASF SE

  公开号：WO2017050609A1

  公开（公告）日：2017-03-30

  A compound of formula (I) for use in electrolyte compositions for electrochemical cells.

  用于电化学电池电解质组合物的化合物的化学式（I）。
• [EN] TRIFUNCTIONAL ADDITIVES FOR ELECTROLYTE COMPOSITION FOR LITHIUM BATTERIES<br/>[FR] ADDITIFS TRIFONCTIONNELS POUR COMPOSITION ÉLECTROLYTIQUE POUR BATTERIES AU LITHIUM
  申请人：BASF SE

  公开号：WO2018134251A1

  公开（公告）日：2018-07-26

  An electrolyte composition containing (i) at least one aprotic organic solvent; (ii) at least one conducting salt; (iii) at least one compound of formula (I); and (iv) optionally one or more additives.

  一种电解质组合物，包含（i）至少一种无水有机溶剂；（ii）至少一种导电盐；（iii）至少一种化学式（I）的化合物；和（iv）可选地一种或多种添加剂。
• [EN] USE OF REACTIVE IONIC LIQUIDS AS ADDITIVES FOR ELECTROLYTES IN SECONDARY LITHIUM ION BATTERIES<br/>[FR] UTILISATION DE LIQUIDES IONIQUES RÉACTIFS COMME ADDITIFS POUR ÉLECTROLYTES DANS DES BATTERIES LITHIUM-ION SECONDAIRES
  申请人：BASF SE

  公开号：WO2015150390A1

  公开（公告）日：2015-10-08

  The present invention relates to compounds of formula (I) wherein X is N or P; -SO3- is -O-S(O)2 -or -S(O)2-O-; and n and R1 to R5 are defined below, and to their use as additives for electrolyte compositions, in particular in electrolyte compositions for lithium batteries.

  本发明涉及式（I）化合物，其中X为N或P；-SO3-为-O-S(O)2-或-S(O)2-O-；n和R1至R5如下定义，并且其用作电解质组分的添加剂，特别是在锂电池的电解质组分中的使用。
• Compositions Comprising a Polymeric Reagent and a Pharmacologically Active Agent
  申请人：NEKTAR THERAPEUTICS

  公开号：US20150328331A1

  公开（公告）日：2015-11-19

  Pharmaceutical compositions of conjugates are provided. The conjugates can be prepared by (among other ways) conjugating a pharmacologically active agent with a polymeric reagent that has a particular arrangement of atoms. Related methods, preparations, and so forth are also provided.

  提供了共轭物的制药组合物。这些共轭物可以通过将具有特定原子排列的聚合物试剂与药理活性试剂共轭而制备。还提供了相关的方法、制备等。