trimethylethylammonium methylsulfate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: trimethylethylammonium methylsulfate
• 英文别名: trimethylethylammonium methanesulfonate；Trimethylethylammonium methanesulfonate；ethyl(trimethyl)azanium;methanesulfonate
• 化学式: CH₃O₃S*C₅H₁₄N
• 分子量: 183.272
• InChiKey: VEQZOIFDBXAUBE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.13
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trimethylethylammonium methylsulfate 、 <1,2,5>thiadiazolo<1,2,5>selenadiazolotetracyanoquinodimethan 以 乙腈 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Clathrate formation and molecular recognition by novel chalcogen-cyano interactions in tetracyanoquinodimethanes fused with thiadiazole and selenadiazole rings

  摘要：

  The intermolecular contacts between chalcogen atoms and cyano lone pairs were found to stabilize the crystalline state by electrostatic interaction. This interaction is one of the sources of the directionality in crystal packing of organic molecules and causes the formation of various types of inclusion lattices in the charge-transfer (CT) crystals of 1-3. By using highly selective formation of CT crystals with substituted aromatic hydrocarbons, particular isomers such as p-xylene or 2,6-dimethylnaphthalene (2,6-DMN) could be separated from the corresponding isomer mixtures. Lattice-related interaction plays a more significant role than molecular orbital interaction in the observed selectivity for para-disubstituted benzenes. However, the latter interaction is important for the recognition of 2,6-DMN from the 2,7 isomer.

  DOI：

  10.1021/ja00034a041
• 作为产物：
  描述：

  二甲基十二/十四烷基叔胺 、 亚硫酸二甲酯 在 正庚烷 作用下， 以 正庚烷 为溶剂， 反应 4.17h， 以corresponding to 86% of the theoretical total yield (trimethylethylammonium methylsulfite and trimethylethylammonium methanesulfonate)的产率得到trimethylethylammonium methylsulfite
  参考文献：
  名称：

  Method For High-Purity Quaternary Ammonium Compounds

  摘要：

  通过将相应的三级sp3杂化胺或sp2杂化亚胺与二甲基亚磺酸反应来制备季铵化合物的过程，其中反应在(i)存在以下所述的溶剂中进行：芳香族碳氢化合物，其具有从6到10个碳原子，对称或非对称的总碳原子数为5到10的二烷基醚，具有从5到8个碳原子的环烷烃和C5-C10-烷烃；以及(ii)在10到100℃的温度下进行。

  公开号：

  US20080033209A1

文献信息

• [DE] VERFAHREN ZUR HERSTELLUNG QUARTÄRER AMMONIUMVERBINDUNGEN HOHER REINHEIT<br/>[EN] METHOD FOR HIGH-PURITY QUATERNARY AMMONIUM COMPOUNDS<br/>[FR] PROCEDE DE PRODUCTION DE COMPOSES D'AMMONIUM QUATERNAIRES DE GRANDE PURETE
  申请人：BASF AG

  公开号：WO2006021304A1

  公开（公告）日：2006-03-02

  Zusammenfassung Verfahren zur Herstellung quartärer Ammoniumverbindungen durch Umsetzung des entsprechenden tertiären sp3-hybridisierten Amins oder sp2-hybridisierten Imins mit Dimethylsulfit, bei dem man die Umsetzung (i) in Gegenwart eines Lösungsmittels ausgewählt aus der Gruppe aromatischer Kohlenwasserstoff mit 6 bis 10 Kohlenstoffatomen, symmetrischer oder un-symmetrischer Dialkylether mit insgesamt 5 bis 10 Kohlenstoffatomen, Cycloalkan mit 5 bis 8 Kohlenstoffatomen und C5- bis C10-Alkan; und (ii) bei einer Temperatur von 10 bis 100°C durchführt.

  通过将相应的三次sp3杂化胺或sp2杂化亚胺与亚砜进行反应，制备季铵化合物的方法的摘要，其中该反应在(i)选择自芳香烃类6至10个碳原子、对称或非对称的总碳原子数为5至10的二烷基醚、5至8个碳原子的环烷烃和C5至C10烷烃的群中的溶剂存在下进行；以及(ii)在10至100°C的温度下进行。
• Clathrate formation and molecular recognition by novel chalcogen-cyano interactions in tetracyanoquinodimethanes fused with thiadiazole and selenadiazole rings
  作者：Takanori Suzuki、Hiroshi Fujii、Yoshiro Yamashita、Chizuko Kabuto、Shoji Tanaka、Masako Harasawa、Toshio Mukai、Tsutomu Miyashi

  DOI：10.1021/ja00034a041

  日期：1992.4

  The intermolecular contacts between chalcogen atoms and cyano lone pairs were found to stabilize the crystalline state by electrostatic interaction. This interaction is one of the sources of the directionality in crystal packing of organic molecules and causes the formation of various types of inclusion lattices in the charge-transfer (CT) crystals of 1-3. By using highly selective formation of CT crystals with substituted aromatic hydrocarbons, particular isomers such as p-xylene or 2,6-dimethylnaphthalene (2,6-DMN) could be separated from the corresponding isomer mixtures. Lattice-related interaction plays a more significant role than molecular orbital interaction in the observed selectivity for para-disubstituted benzenes. However, the latter interaction is important for the recognition of 2,6-DMN from the 2,7 isomer.
• Method For High-Purity Quaternary Ammonium Compounds
  申请人：Szarvas Laszlo

  公开号：US20080033209A1

  公开（公告）日：2008-02-07

  Process for preparing quaternary ammonium compounds by reacting the corresponding tertiary sp 3 -hybridized amine or sp 2 -hybridized imine with dimethyl sulfite, wherein the reaction is carried out (i) in the presence of a solvent selected from the group consisting of aromatic hydrocarbons having from 6 to 10 carbon atoms, symmetrical or unsymmetrical dialkyl ethers having a total of from 5 to 10 carbon atoms, cycloalkanes having from 5 to 8 carbon atoms and C 5 -C 10 -alkanes; and (ii) at a temperature of from 10 to 100° C.

  通过将相应的三级sp3杂化胺或sp2杂化亚胺与二甲基亚磺酸反应来制备季铵化合物的过程，其中反应在(i)存在以下所述的溶剂中进行：芳香族碳氢化合物，其具有从6到10个碳原子，对称或非对称的总碳原子数为5到10的二烷基醚，具有从5到8个碳原子的环烷烃和C5-C10-烷烃；以及(ii)在10到100℃的温度下进行。