2,8-diethyl-2,4,6,8-tetraazabicyclo<3.3.0>octane-3,7-dione | 127702-90-3

• 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: 2,8-diethyl-2,4,6,8-tetraazabicyclo<3.3.0>octane-3,7-dione
• 英文别名: 2,8-diethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione；Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,6-diethyltetrahydro-, cis-；3,4-diethyl-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
• CAS: 127702-90-3
• 化学式: C₈H₁₄N₄O₂
• 分子量: 198.225
• InChiKey: RNUMZCRALZZCGI-UHFFFAOYSA-N

物化性质

• 沸点：
  548.9±50.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 2,8-diethyl-2,4,6,8-tetraazabicyclo<3.3.0>octane-3,7-dione 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 4,6-diethyl-2,8-di(hyroxymethyl)glycoluril 、 4,6-diethyl-2-hydroxymethylglycoluril
  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：

  草酸醛 、 Cytochrome鎐frompigeonbreastmuscle 在 盐酸 作用下， 反应 1.0h， 生成 2,6-diethyl-2,4,6,8-tetraazabicyclo<3.3.0>octene-3,7-dione 、 2,8-diethyl-2,4,6,8-tetraazabicyclo<3.3.0>octane-3,7-dione
  参考文献：
  名称：

  Three-dimensional structures and spectra of 2,6- and 2,8-diethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-diones

  摘要：

  DOI：

  10.1007/bf00476206

文献信息

• Synthesis of new chiral mono-, di-, tri-, and tetraalkylglycolurils
  作者：A. N. Kravchenko、A. S. Sigachev、E. Yu. Maksareva、G. A. Gazieva、N. S. Trunova、B. V. Lozhkin、T. S. Pivina、M. M. Il’in、K. A. Lyssenko、Yu. V. Nelyubina、V. A. Davankov、O. V. Lebedev、N. N. Makhova、V. A. Tartakovsky

  DOI：10.1007/s11172-005-0307-3

  日期：2005.3

  Two general procedures were developed for the synthesis of chiral N-mono-, N, N′-di-, N, N′ N″-tri-, and N, N′, N″, N′″-tetraalkylglycolurils based on the reactions of 4,5-dihydroxy-imidazolidin-2-ones or glyoxal with one or two moles of alkylureas, respectively, by acid catalysis. The reactions of N-monoalkyl- and N, N′-dialkylureas with glyoxal proceed regioselectively. The mechanism of these reactions was suggested and partly confirmed by quantum-chemical calculations and experimental data. The enantiomeric separation of some chiral glycolurils by chiral-phase HPLC was carried out for the first time.

  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。
• Liposome And Method Of Preparing The Same
  申请人：Kim Kimoon

  公开号：US20070212404A1

  公开（公告）日：2007-09-13

  Provided are a liposome formed by self-assembling a cucurbituril derivative and a method of preparing the liposome.
• Polymer Capsule and Process For the Preparation Thereof
  申请人：Kim Kimoon

  公开号：US20080175920A1

  公开（公告）日：2008-07-24

  Provided are a polymer capsule having a diameter of 10 to 1,000 nm which is prepared by the copolymerization of a hydroxycucurbituril compound with an organic compound having at least two thiol groups, and a method of preparing the same.
• NANO-PARTICLES COMPRISING CUCURBITURIL DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND PROCESS FOR THE PREPARATION THEREOF
  申请人：KIM Kimoon

  公开号：US20080279950A1

  公开（公告）日：2008-11-13

  Provided are nanoparticles prepared by the aggregation of cucurbituril derivatives and having a particle size of 1 to 1,000 nm, a pharmaceutical composition in which a pharmaceutically active substance is loaded into the nanoparticles, and preparation methods thereof.
• COMPOSITION FOR ODOR REMOVAL AND FRAGRANCE EMISSION COMPRISING COMPLEXES OF CUCURBITURIL AND FRAGRANCE
  申请人：POSTECH ACADEMY-INDUSTRY FOUNDATION

  公开号：US20150297772A1

  公开（公告）日：2015-10-22

  Disclosed herein is a composition for removing an odor molecule and releasing a fragrant molecule, the composition including a complex of cucurbituril and a fragrant molecule. The composition is characterized in that an odor molecule and a fragrant molecule alternately make a complex with cucurbituril, so the odor molecule makes a complex with cucurbituril, and, simultaneously, the fragrant molecule is released from the complex. The composition provides very efficient air cleaning effects because it can exhibit both an odor removing effect and a fragrant molecule releasing effect using only cucurbituril which is a single-kind macrocyclic molecule.