2-[(4H-1,2,4-TRIAZOL-4-YLAMINO)CARBONYL]BENZENECARBOXYLIC ACID

Base Information

• Chemical Name: 2-[(4H-1,2,4-TRIAZOL-4-YLAMINO)CARBONYL]BENZENECARBOXYLIC ACID
• CAS No.: 212517-01-6
• Molecular Formula: C10H8N4O3
• Molecular Weight: 232.19600
• Mol file: 212517-01-6.mol

Synonyms:CL 2989;HMS2873E19;

Chemical Property of 2-[(4H-1,2,4-TRIAZOL-4-YLAMINO)CARBONYL]BENZENECARBOXYLIC ACID

Chemical Property:

• Melting Point: 110-112 °C(Solv: ethanol (64-17-5))
• PKA: 3.58±0.36(Predicted)
• PSA: 100.60000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 0.74420

Purity/Quality:

2-[(4H-1,2,4-TRIAZOL-4-YLAMINO)CARBONYL]BENZENECARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[(4H-1,2,4-TRIAZOL-4-YLAMINO)CARBONYL]BENZENECARBOXYLIC ACID

There total 2 articles about 2-[(4H-1,2,4-TRIAZOL-4-YLAMINO)CARBONYL]BENZENECARBOXYLIC ACID 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: 55.0%

4-amino-1,2,4-triazole (584-13-4) + phthalic anhydride (85-44-9) → N-(4H-1,2,4-triazol-4-yl)phthalamic acid (212517-01-6)

Guidance literature:

at 135 ℃; for 0.05h; microwave irradiation;

DOI:10.1016/S0960-894X(01)00540-6

Reference yield:

[Fe(N-(4H-1,2,4-triazol-4-yl)phthalamic acid)3](OTS)2 → N-(4H-1,2,4-triazol-4-yl)phthalamic acid (212517-01-6)

Guidance literature:

With potassium carbonate; In chloroform-d1; water-d2; for 0.25h; Sealed tube;

DOI:10.1002/ejic.202100090

Reference yield: 26.0%

iron (II) p-toluenesulphonate hexahydrate + N-(4H-1,2,4-triazol-4-yl)phthalamic acid (212517-01-6) → [Fe(N-(4H-1,2,4-triazol-4-yl)phthalamic acid)3](OTS)2

Guidance literature:

With ascorbic acid; In water; at 20 ℃; for 2h;

DOI:10.1002/ejic.202100090

upstream raw materials:

4-amino-1,2,4-triazole

phthalic anhydride

Refernces

• 1、 Sena, Vera L.M,Srivastava, Rajendra M,Oliveira, Shalom P,Lima, Vera L.M. "Microwave assisted synthesis of N-Arylphthalamic acids with hyperlipidemic activity". . p. 2671 - 2674. Retrieved 2007/10/03.