4-(4-METHOXY-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE

Base Information

• Chemical Name: 4-(4-METHOXY-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE
• CAS No.: 13274-44-7
• Molecular Formula: C9H7N3O3
• Molecular Weight: 205.173
• Mol file: 13274-44-7.mol

Synonyms:4-methoxyphenyl-1,2,4-triazoline-3,5-dione;4-(4-methoxyphenyl)-4H-1,2,4-triazoline-3,5-dione;4-(4-methoxyphenyl)-3H-1,2,4-triazole-3,5-dione;4-(4-methoxyphenyl)-4H-1,2,4-triazole-3,5-dione;4-(4-Methoxy-phenyl)-[1,2,4]triazole-3,5-dione;4-(4-methoxyphenyl)-1,2,4-triazole-3,5-dione;

Chemical Property of 4-(4-METHOXY-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE

Chemical Property:

• Melting Point: 90 - 93 °C
• Boiling Point: 328.4±44.0 °C(Predicted)
• PKA: -0.98±0.20(Predicted)
• PSA: 71.33000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 1.14360

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Methoxyphenyl)-3H-1,2,4-triazole-3,5(4H)-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(4-METHOXY-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE

There total 3 articles about 4-(4-METHOXY-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4-(4-methoxyphenyl)urazole (13274-46-9) → 4-(4-methoxy-phenyl)-[1,2,4]triazole-3,5-dione (13274-44-7)

Guidance literature:

With SiO₂-supported HNO₃; In dichloromethane; at 20 ℃; for 0.0833333h; chemoselective reaction;

DOI:10.1080/00397910902898619

Reference yield:

ethyl 2-((4-methoxyphenyl)carbamoyl)hydrazinecarboxylate (13482-67-2) → 4-(4-methoxy-phenyl)-[1,2,4]triazole-3,5-dione (13274-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide; water / 1.5 h / Inert atmosphere; Reflux

2: potassium bromide; oxone||potassium monopersulfate triple salt / dichloromethane; water / 0.33 h / 20 °C

With oxone||potassium monopersulfate triple salt; water; potassium bromide; potassium hydroxide; In dichloromethane; water;

DOI:10.1021/acs.orglett.1c04071

Reference yield:

→ 4-(4-methoxy-phenyl)-[1,2,4]triazole-3,5-dione (13274-44-7)

Guidance literature:

DOI:10.1021/jo01348a532 DOI:10.1039/P29750001325

upstream raw materials:

4-(4-methoxyphenyl)urazole

ethyl 2-((4-methoxyphenyl)carbamoyl)hydrazinecarboxylate

Downstream raw materials:

C₃₁H₄₁N₃O₅Si

C₂₃H₂₃N₃O₆

C₂₂H₂₁N₃O₅