2-ethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione | 87623-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-ethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione
• 英文别名: 2-ethylglycoluril；Imidazolo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1-ethyl-；4-ethyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
• CAS: 87623-30-1
• 化学式: C₆H₁₀N₄O₂
• 分子量: 170.171
• InChiKey: AMGQLHWRQVRXSH-UHFFFAOYSA-N

物化性质

• 沸点：
  634.5±55.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  73.5
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-ethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione 在 吡啶 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 25.0h， 生成 2,4,6-triacetoxymethyl-8-ethylglycoluril
  参考文献：
  名称：

  N-烷基甘脲与亲电试剂的反应

  摘要：

  DOI：

  10.1007/s10593-006-0094-2
• 作为产物：
  描述：

  4,5-二羟基四氢-2H-咪唑-2-酮 、 Cytochrome鎐frompigeonbreastmuscle 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以70%的产率得到2-ethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione
  参考文献：
  名称：

  Synthesis of new chiral mono-, di-, tri-, and tetraalkylglycolurils

  摘要：

  在 4,5-二羟基咪唑烷-2-酮或乙二醛分别与一或两摩尔烷基脲在酸催化下发生反应的基础上，开发了合成手性 N-单烷基、N, N′-二烷基、N, N′-三烷基和 N, N′,N″,N′″-四烷基乙二醛的两种一般程序。N-单烷基和 N，N′-二烷基脲与乙二醛的反应具有区域选择性。量子化学计算和实验数据提出并部分证实了这些反应的机理。首次利用手性相高效液相色谱法分离了一些手性羟基乙醛的对映体。

  DOI：

  10.1007/s11172-005-0307-3

文献信息

• CROSSLINKING COMPOSITION
  申请人：Allnex IP S.à.r.l.

  公开号：EP1608691B1

  公开（公告）日：2018-04-11
• STABILIZED CROSSLINKING COMPOSITION
  申请人：CYTEC SURFACE SPECIALTIES, S.A.

  公开号：EP1794202A1

  公开（公告）日：2007-06-13
• ANTI-REFLECTIVE COATINGS
  申请人：AZ Electronic Materials USA Corp.

  公开号：EP1966255A1

  公开（公告）日：2008-09-10
• Crosslinking composition
  申请人：——

  公开号：US20040192851A1

  公开（公告）日：2004-09-30

  This invention relates to a crosslinking composition comprising a compound having the structure of Formula 1: A′-NR A —R D where A′ is a moiety derived from the group consisting of linear or cyclic ureas, cyanuric acid, substituted cyanuric acids, linear or cyclic amides, glycolurils, hydantoins, linear or cyclic carbamates and mixtures thereof, or a moiety comprising the structure: 1 where R A is R D , hydrogen, an alkyl of 1 to 20 carbon atoms, or taken together with A′ forms a cyclic compound; R D is —CHR C OR B , wherein R B is hydrogen, alkyl, aryl, aralkyl or an alkaryl having from 1 to about 24 carbon atoms and R C is an alkyl, halogenated alkyl, aryl, aralkyl, halogenated aralkyl, alkoxyalkyl or an alkaryl having from 1 to about 24 carbon atoms; A is a moiety derived from the group consisting of linear or cyclic ureas, cyanuric acid, substituted cyanuric acids, linear or cyclic amides, glycolurils, hydantoins, linear or cyclic carbamates and mixtures thereof; B is a residue of a poly(alkylaldehyde) with n aldehyde groups; n is an integer of 2 to about 8; R a is R d , hydrogen, an alkyl of 1 to about 20 carbon atoms, or taken together with A forms a cyclic compound; where R d is CHR c OR b or 2 where R b is hydrogen, alkyl, aryl, aralkyl or an alkaryl having from 1 to about 24 carbon atoms and R c is an alkyl, halogenated alkyl, aryl, aralkyl, halogenated aralkyl, alkoxyalkyl or an alkaryl having from 1 to about 24 carbon atoms; and where the alkyl or aryl groups in each radical may optionally have heteroatoms in their structure. This invention also relates to a process for producing the crosslinking composition by reacting an amino compound containing amino groups; a mono(alkylaldehyde) and/or a poly(alkylaldehyde), and an alcohol; where said amino compound is selected from the group consisting of: linear or cyclic ureas, cyanuric acid, substituted cyanuric acids, linear or cyclic amides, glycolurils, hydantoins, linear or cyclic carbamates and mixtures thereof.
• Stabilized crosslinking composition
  申请人：Lin Wilson Lon-Tang

  公开号：US20060074203A1

  公开（公告）日：2006-04-06

  This invention relates to a crosslinking composition comprising and organic acid and a compound having the structure of Formula I: A′-NR A —R D where A′ is a moiety derived from the group consisting of triazines, linear or cyclic ureas, cyanuric acid, substituted cyanuric acids, linear or cyclic amides, glycolurils, hydantoins, linear or cyclic carbamates and mixtures thereof, or a moiety comprising the structure: where R A is R D , hydrogen, an alkyl of 1 to 20 carbon atoms, or taken together with A′ forms a cyclic compound; R D is —CHR C OR B , wherein R B is hydrogen, alkyl, aryl, aralkyl or an alkaryl having from 1 to about 24 carbon atoms and R C is an alkyl, halogenated alkyl, aryl, aralkyl, halogenated aralkyl, alkoxyalkyl or an alkaryl having from 1 to about 24 carbon atoms; A is a moiety derived from the group consisting of linear or cyclic ureas, cyanuric acid, substituted cyanuric acids, linear or cyclic amides, glycolurils, hydantoins, linear or cyclic carbamates and mixtures thereof; B is a residue of a poly(alkylaldehyde) with n aldehyde groups; n is an integer of 2 to about 8; R a is R d , hydrogen, an alkyl of 1 to about 20 carbon atoms, or taken together with A forms a cyclic compound; where R d is CHR c OR b or where R b is hydrogen, alkyl, aryl, aralkyl or an alkaryl having from 1 to about 24 carbon atoms and R c is an alkyl, halogenated alkyl, aryl, aralkyl, halogenated aralkyl, alkoxyalkyl or an alkaryl having from 1 to about 24 carbon atoms; and where the alkyl or aryl groups in each radical may optionally have heteroatoms in their structure. This invention also relates to a process for producing the crosslinking composition by reacting an amino compound containing amino groups; a mono(alkylaldehyde) and/or a poly(alkylaldehyde), and an alcohol; and adding an organic compound where said amino compound is selected from the group consisting of: triazines, linear or cyclic ureas, cyanuric acid, substituted cyanuric acids, linear or cyclic amides, glycolurils, hydantoins, linear or cyclic carbamates and mixtures thereof.