2H-吖庚英-2-酮,六氢-,磷酸酯(1:1) | 19411-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 中文名称: 2H-吖庚英-2-酮,六氢-,磷酸酯(1:1)
• 英文名称: hexahydro-azepin-2-one; hydrogenphosphate
• 英文别名: Hexahydro-azepin-2-on; Hydrogenphosphat；caprolactam dihydrogen phosphate；caprolactam dihydrogenphosphate；azepan-2-one;phosphoric acid
• CAS: 19411-98-4
• 化学式: C₆H₁₁NO*H₃O₄P
• 分子量: 211.155
• InChiKey: AACGGHWZDKJPKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.25
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  己内酰胺 在 磷酸 作用下， 以 水 为溶剂， 反应 12.5h， 以98.6%的产率得到2H-吖庚英-2-酮,六氢-,磷酸酯(1:1)
  参考文献：
  名称：

  Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same

  摘要：

  该发明涉及一类新型的Brønsted酸性离子液体，每种液体都具有一种内酰胺阳离子，并且通过将一种内酰胺与Brønsted无机酸或有机酸在室温下进行简单的中和反应来制备这种离子液体的方法。内酰胺Brønsted酸性离子液体的特性如下：它们具有耐水和耐潮湿的特性；它们比二烷基咪唑盐更环保且成本更低；它们具有更强的Brønsted酸性，可以用作酸性催化剂和介质，取代许多酸催化反应中的无机腐蚀性酸，如浓硫酸和氢氟酸；它们还可以用作萃取和分离的绿色介质。

  公开号：

  US20070021604A1

文献信息

• Brønsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same
  申请人：Lanzhou Institute of Chemical Physics Chinese Academy of Sciences

  公开号：US07220869B2

  公开（公告）日：2007-05-22

  The invention relates to a class of novel Brønsted acidic ionic liquids each having a lactam cation, and to a method for preparing the same through simple neutralization reaction of a lactam, which is available in large scale from industry, with a Brønsted inorganic or organic acid under room temperature. The properties of the lactam Brønsted acidic ionic liquids are as follows: they are water- and moisture-stable; they are more environmentally benign and lower cost than that of dialkylimidazolium salts; they have stronger Brønsted acidity and can be used as acidic catalysts and media instead of inorganic corrosive acids, such as concentrated sulfuric acid and hydrofluoric acid, in many acid-catalyzed reactions; and they can also be used as green media for extraction and separation.

  本发明涉及一类新型的Brønsted酸性离子液体，每种离子液体都具有内酰胺阳离子，并且通过在室温下使用从工业中大规模生产的内酰胺与Brønsted无机或有机酸进行简单的中和反应制备。内酰胺Brønsted酸性离子液体的性质如下：它们具有耐水和耐潮湿性；它们比二烷基咪唑盐更环保且成本更低；它们具有更强的Brønsted酸性，可以在许多酸催化反应中代替无机腐蚀性酸，如浓硫酸和氢氟酸，作为酸催化剂和介质使用；它们还可以用作绿色媒介进行提取和分离。
• US7220869B2
  申请人：——

  公开号：US7220869B2

  公开（公告）日：2007-05-22
• Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same
  申请人：Deng Youquan

  公开号：US20070021604A1

  公开（公告）日：2007-01-25

  The invention relates to a class of novel Brønsted acidic ionic liquids each having a lactam cation, and to a method for preparing the same through simple neutralization reaction of a lactam, which is available in large scale from industry, with a Brønsted inorganic or organic acid under room temperature. The properties of the lactam Brønsted acidic ionic liquids are as follows: they are water- and moisture-stable; they are more environmentally benign and lower cost than that of dialkylimidazolium salts; they have stronger Brønsted acidity and can be used as acidic catalysts and media instead of inorganic corrosive acids, such as concentrated sulfuric acid and hydrofluoric acid, in many acid-catalyzed reactions; and they can also be used as green media for extraction and separation.

  该发明涉及一类新型的Brønsted酸性离子液体，每种液体都具有一种内酰胺阳离子，并且通过将一种内酰胺与Brønsted无机酸或有机酸在室温下进行简单的中和反应来制备这种离子液体的方法。内酰胺Brønsted酸性离子液体的特性如下：它们具有耐水和耐潮湿的特性；它们比二烷基咪唑盐更环保且成本更低；它们具有更强的Brønsted酸性，可以用作酸性催化剂和介质，取代许多酸催化反应中的无机腐蚀性酸，如浓硫酸和氢氟酸；它们还可以用作萃取和分离的绿色介质。