4-(4-ethoxyphenyl)-1,2,4-triazoline-3,5-dione | 96567-02-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-ethoxyphenyl)-1,2,4-triazoline-3,5-dione
• 英文别名: 4-EtOC6H4-1,2,4-triazoline-3,5-dione；4-(4-Ethoxyphenyl)-3H-1,2,4-triazole-3,5(4H)-dione；4-(4-ethoxyphenyl)-1,2,4-triazole-3,5-dione
• CAS: 96567-02-1
• 化学式: C₁₀H₉N₃O₃
• 分子量: 219.2
• InChiKey: UMVJTPNLBZXVKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-ethoxyphenyl)-1,2,4-triazoline-3,5-dione 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 1.0h， 生成 4,15-bis(4-ethoxyphenyl)-8,10,19,21-tetramethyl-2,4,6,8,10,13,15,17,19,21-decaazahexacyclo<10.10.0.0^1.18.0^2.6.0^7.12.0^13.17>docosan-3,5,9,11,14,16,20,22-octaone
  参考文献：
  名称：

  Wamhoff, Heinrich; Wald, Klemens; Kirfel, Armin, Chemische Berichte, 1985, vol. 118, # 2, p. 436 - 443

  摘要：

  DOI：

文献信息

• Reaction of 1-{(pentamethylcyclopentadienyl)(dicarbonyl)ferrio}-2-(2,4,6-tri-tert-butylphenyl)diphosphene with 1,2,4-triazoline-3,5-diones: formations and structures of the first 1,2-diaza-3,4-diphosphetidines and E,E-1,7-dioxa-4,5,10,11-tetraaza-3,4,8,9-tetraphosphacyclododeca-5,11-diene
  作者：Lothar Weber、Holger Bastian、Roland Boese、Hans-Georg Stammler

  DOI：10.1039/c39910001778

  日期：——

  Reaction of [(η5-C5Me5)(CO)2Fe–PP–MeS*]1(Mes*= 2,4,6-But3C6H2) with 1,2,4-triazoline-3,5-diones [[graphic omitted](O)]2(a: R = Ph; b: R = 4-EtOC6H4) in benzene at ambient temperature affords the first 1,2-diaza-3,4-diphosphetidines as part of the bicyclic compounds 4, whereas in diethyl ether solution the twelve-membered macrocycle 5 is obtained.

  的反应[（η 5 -C 5我5）（CO）2的Fe-P P-MES *] 1（MES * = 2,4,6-卜吨3 c ^ 6 ħ 2）与1,2,4-在环境温度下于苯中的三唑啉-3,5-二酮[[图略]（O）] 2（a：R = Ph; b：R = 4-EtOC 6 H 4）在苯中得到第一个1,2-diaza-3作为双环化合物4的一部分的1，4-二磷酸吡啶，而在乙醚溶液中则获得了十二元大环化合物5。
• Tyrosine-specific functionalized insulin and insulin analogs
  申请人：Merck Sharp & Dohme Corp.

  公开号：US11530250B2

  公开（公告）日：2022-12-20

  The present invention relates to tyrosine-specific functionalized insulin analogs and processes of making such tyrosine-specific functionalized insulin analogs using R-3H-1,2,4-triazoline-3,5-(4H)diones (PTAD).

  本发明涉及酪氨酸特异性官能化胰岛素类似物，以及使用 R-3H-1,2,4-三唑啉-3,5-(4H)二酮（PTAD）制造这种酪氨酸特异性官能化胰岛素类似物的工艺。
• Weber, Lothar, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 77, # 1-4, p. 21 - 24
  作者：Weber, Lothar

  DOI：——

  日期：——
• On the Synthesis of Zwitterionic Heteropolycyclic Pyrazoles by a Three-Component Reaction. Some Mechanistic Considerations
  作者：Heinrich Wamhoff、Christian Bamberg、Stefan Herrmann、Martin Nieger

  DOI：10.1021/jo00093a033

  日期：1994.7

  The novel three-component reaction involving a heterocyclic iminophosphorane, an isocyanate, and a hetarene component is applied to an aromatic pyrazole iminophosphorane 1 and to an analogous pyrazolone derivative 13. The hitherto unknown zwitterionic pyrazolo[3,4':4,5]pyrimido[6,1-alpha]-isoquinolines 11a,b and 16a,b, pyrazolo[3',4':4,5]pyrimido[6,1-alpha]phthalazine 6b, and pyrazolo[3',4':4,5]pyrido[6,1-alpha]pyrimidines 15a,b are obtained. Additionally, the novel cycloaddition products with triazolinediones, the pyrazolo[3,4-e][1,2,4]triazolo[1,2-alpha] 1,2,4]triazinediones 9a,b, are described. The isolation of the dihydro compound 4 and the phthalazinium salt 5 supports a stepwise mechanism for the zwitterion formation. While the influence of the aromaticity of the iminophosphorane component appears to be negligible, the aromaticity of the hetarene component determines the limitations of this versatile reaction. X-ray structures of 11a, 5b, and 16b as well as UV-, MS-, and NMR-spectra and semiempirical calculations confirm the zwitterionic character of the reaction products.
• Weber, Lothar; Luecke, Ewald; Frebel, Matthias, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 64, # 1-4, p. 71 - 76
  作者：Weber, Lothar、Luecke, Ewald、Frebel, Matthias、Bastian, Holger

  DOI：——

  日期：——