Dimethyl 1-ethyltriazole-4,5-dicarboxylate | 1160357-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Dimethyl 1-ethyltriazole-4,5-dicarboxylate
• CAS: 1160357-58-3
• 化学式: C₈H₁₁N₃O₄
• 分子量: 213.193
• InChiKey: KFSTUCZKUJXKKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  溴乙烷 、 methyl 1,2,3-triazole-4,5-dicarboxylate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Dimethyl 1-ethyltriazole-4,5-dicarboxylate 、 2-ethyl-2H-[1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  General Solution to the Synthesis of N-2-Substituted 1,2,3-Triazoles

  摘要：

  The regioselective N-alkylation of 1,2,3-triazoles 1-6 was studied Good to excellent N-2 selectivity and high chemical yields for N-2-substituted 4,5-dibromotriazoles 7 were obtained with 4,5-dibromo- and 4-bromo-5-trimethylsilyl-1,2,3-triazoles These building blocks can be readily converted to 2-mono-, 2,4-di-, and 2,4,5-polysubstituted triazoles 10-15, providing a general, protective, group-free method for the synthesis of N-2-substituted triazoles. Observed regioselectivities can be rationalized by a combination of Frontier Molecular Orbital, steric, and electrostatic directing effects on the heterocyclic scaffolds

  DOI：

  10.1021/ol101965a

文献信息

• Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(^<i>t</i>BuNC)(PPh₃)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media
  作者：Yih-Hsing Lo、Tsang-Hsiu Wang、Chia-Yi Lee、Ying-Hsuan Feng

  DOI：10.1021/om300687a

  日期：2012.10.8

  five-membered cyclic oxycarbene complex (PPh3)[Ru]═C4H6O}+ (11). Several cationic imine complexes (tBuNC)[Ru]-(NH═CHR′)}+ (12a, R′ = H; 12b, R′ = CH3; 12c, R′ = Ph) are formed by the reaction of RCH2X with 2. If the reaction of 2 with CH3I is carried out at 35 °C for 24 h, (tBuNC)[Ru]-I (13) could be isolated. Preliminary results on the catalytic activity of 2 are also presented. Complex 2 catalyzes cycloaddition

  用过量的叠氮化钠处理TpRu络合物（PPh 3）[Ru] -Cl（1，[Ru] = Tp（t BuNC）Ru）得到黄色钌叠氮基络合物（PPh 3）[Ru] -N 3（2）。所述三唑合复合物（PPH 3）的[Ru] -N 3 Ç 2（R）2（图3a，R =甲基;图3b，R = ET）经由合成[3 + 2]环加成的2用RO 2 CC≡CCO 2 R.这些triazolato配合物的完整表征阐明了结构，并确定了加成产物的N（2）键类型。的烷基化3a与有机溴化物引起Ru–N键断裂，并提供1,4,5-三取代的三唑。此外，除了CS的2至2产生热不稳定thiothiatriazolate（PPH 3）的[Ru] -N 3 CS（S）（5），其转换成异硫氰酸酯复合物（PPH 3）的[Ru] -NCS（6）和（t BuNC）[Ru] -NCS（7）。其他试剂也可与2反应，但产物不是由[3 + 2]环加成反应产生的。在H
• Non-migratory internal plasticizers attached to a pendant covalent linkage
  申请人：The Regents of the University of California

  公开号：US10927245B2

  公开（公告）日：2021-02-23

  The present invention relates to polymers functionalized with non-migratory internal plasticizers.

  本发明涉及用非迁移性内部增塑剂进行官能化的聚合物。
• NON-MIGRATORY INTERNAL PLASTICIZERS ATTACHED TO A PENDANT COVALENT LINKAGE
  申请人：The Regents of the University of California

  公开号：US20190241727A1

  公开（公告）日：2019-08-08

  The present invention relates to polymers functionalized with non-migratory internal plasticizers.