benzyl (2,4,6-trioxo-1,3,5-triazin-1-yl)acetate | 299170-58-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl (2,4,6-trioxo-1,3,5-triazin-1-yl)acetate
• 英文别名: N-benzyloxycarbonylmethyl cyanuric acid；Benzyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate
• CAS: 299170-58-4
• 化学式: C₁₂H₁₁N₃O₅
• 分子量: 277.236
• InChiKey: NJSHPGCLLSXFIW-UHFFFAOYSA-N

物化性质

• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl (2,4,6-trioxo-1,3,5-triazin-1-yl)acetate 在 氢氧化钾 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 生成 ethyl N-(2-Boc-aminoethyl)-N-(cyanuric-1-ylacetyl)glycinate
  参考文献：
  名称：

  Cyanuryl-PNA Monomer:  Synthesis and Crystal Structure

  摘要：

  The chemical synthesis and crystal structure of the peptide nucleic acid (PNA) monomer 11 having cyanuric acid as the nucleobase is reported. The crystal structure of 11 shows molecular tapes arising from continuous intermolecular dimeric hydrogen bonding, with successive tapes held by single hydrogen bonds in the backbone.

  DOI：

  10.1021/ol006257j
• 作为产物：
  描述：

  甘氨酸苄酯对甲苯磺酸盐 在 三乙胺 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 benzyl (2,4,6-trioxo-1,3,5-triazin-1-yl)acetate
  参考文献：
  名称：

  Cyanuryl-PNA Monomer:  Synthesis and Crystal Structure

  摘要：

  The chemical synthesis and crystal structure of the peptide nucleic acid (PNA) monomer 11 having cyanuric acid as the nucleobase is reported. The crystal structure of 11 shows molecular tapes arising from continuous intermolecular dimeric hydrogen bonding, with successive tapes held by single hydrogen bonds in the backbone.

  DOI：

  10.1021/ol006257j

文献信息

• Covalent Linkage of Melamine and Cyanurate Improves the Thermodynamic Stability of Hydrogen-Bonded Double Rosettes in Polar Solvents
  作者：Olivier Félix、Mercedes Crego-Calama、Ingrid Luyten、Peter Timmerman、David N. Reinhoudt

  DOI：10.1002/ejoc.200390205

  日期：2003.4

  form well-defined double rosette assemblies. DMSO titration experiments illustrate that the covalent linkage between the cyanurate and dimelamine moieties produces a significant increase in the thermodynamic stabilities of these conjugates. The relative stability of the assemblies seems to be primarily governed by the structure of the component connecting the melamine and cyanurate units. The highest

  本文描述了对八种不同杯[4]芳烃二(三聚氰胺-氰尿酸盐)或二(三聚氰胺-巴比妥酸盐)偶联物的合成、自组装行为和热力学稳定性的研究。成功的合成策略包括通过酰胺键形成反应制备氨基-n-烷基官能化杯[4]芳烃二三聚氰胺与羧基官能化氰脲酸酯或巴比妥酸酯。1H NMR 实验表明，八个缀合物中的三个形成明确定义的双花环组件。DMSO 滴定实验表明，氰尿酸盐和二三聚氰胺部分之间的共价键显着提高了这些缀合物的热力学稳定性。组件的相对稳定性似乎主要由连接三聚氰胺和氰尿酸酯单元的组件结构决定。对于二（三聚氰胺-氰尿酸酯）组装件观察到最高稳定性（χDMSO = 70%），其中组件通过正庚基酰胺甲基接头连接。将接头尺寸从正庚酰胺甲基增加到正癸酰胺甲基会略微降低相应双花环组件的热力学稳定性（ΔχDMSO ≈ 10%）。然而，在甲基羰基的α位引入取代基后，双花环结构的热力学稳定性急剧下降。使用苄基取代基（基于 D-苯
• COMPOSITION COMPRISING A POLYALKYLENE OXIDE-BASED POLYMER
  申请人：RHODIA OPERATIONS

  公开号：EP3611213A1

  公开（公告）日：2020-02-19

  The present invention concerns a polyalkylene oxide-based polymer functionalized at one or both ends with a nitrogen-containing heterocyclic group bearing 3 carbonyl functions. The invention also concerns processes for producing said polymer and articles obtained thereof.

  本发明涉及一种在一端或两端用含有 3 个羰基官能团的含氮杂环基团官能化的聚环氧烷基聚合物。本发明还涉及生产上述聚合物及其制品的工艺。
• POLYSILOXANES BEARING ISOCYANURIC ACID OR BARBITURIC ACID MOIETIES AND COMPOSITIONS COMPRISING THEM
  申请人：RHODIA OPERATIONS

  公开号：EP3617252A1

  公开（公告）日：2020-03-04

  The present invention relates to processes for preparing polysiloxanes bearing isocyanuric or babrbituric acid moieties and to compositions comprising said polysiloxanes and polysiloxanes bearing nitrogen-containing heterocyclic group, bearing at least a function chosen in the group consisting of primary amine and secondary amine.

  本发明涉及制备含有异氰尿酸或巴布亚新几内亚酸分子的聚硅氧烷的工艺，以及包含上述聚硅氧烷和含有含氮杂环基团的聚硅氧烷的组合物。
• THERMOPLASTIC COMPOSITION COMPRISING A POLYSILOXANE BEARING DIAMINOTRIAZINE MOIETIES
  申请人：RHODIA OPERATIONS

  公开号：EP3617251A1

  公开（公告）日：2020-03-04

  The present invention relates to a thermoplastic composition comprising at least one polysiloxane (P1) bearing diaminotriazine moieties and at least one polymer (P2) having a glass transition temperature, measured by differential scanning calorimetry, lower than 0 °C, functionalized with at least two isocyanuric or barbituric acid moieties.

  本发明涉及一种热塑性组合物，该组合物包含至少一种含有二氨基三嗪分子的聚硅氧烷（P1）和至少一种通过差示扫描量热法测量其玻璃化转变温度低于 0 °C 的聚合物（P2），该聚合物被至少两个异氰尿酸或巴比妥酸分子官能化。
• [EN] COMPOSITION COMPRISING A POLYALKYLENE OXIDE-BASED POLYMER<br/>[FR] COMPOSITION COMPRENANT UN POLYMÈRE À BASE D'OXYDE DE POLYALKYLÈNE
  申请人：RHODIA OPERATIONS

  公开号：WO2019243621A1

  公开（公告）日：2019-12-26

  Composition comprising a polyalkylene oxide-based polymer The present invention concerns a polyalkylene oxide-based polymer functionalized at one or both ends with a nitrogen-containing heterocyclic group bearing 3 carbonyl functions. The invention also concerns processes for producing said polymer and articles obtained thereof.