5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Base Information

• Chemical Name: 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
• CAS No.: 87253-62-1
• Molecular Formula: C8H8 N4 O2
• Molecular Weight: 192.177
• Hs Code.: 2933990090
• European Community (EC) Number: 805-019-5
• DSSTox Substance ID: DTXSID50350305
• Wikidata: Q72472258
• Mol file: 87253-62-1.mol

Synonyms:5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid;87253-62-1;5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid;[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 5,7-dimethyl-;CBDivE_001724;SCHEMBL10461118;DTXSID50350305;LIVBNPDDJKFYDF-UHFFFAOYSA-N;HMS1697A14;BBL009837;MFCD00462463;STK500260;AKOS000114824;AKOS005169997;BS-13900;CL-349010;BB 0237707;CS-0070765;FT-0750259;EN300-00904;A862699;SR-01000401367;J-516567;SR-01000401367-1;Z56783127;F0347-4277;5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine- 2-carboxylic acid;5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLICACID;5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid, AldrichCPR

Chemical Property of 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Chemical Property:

• Melting Point: 176-177 °C
• Boiling Point: °Cat760mmHg
• PKA: 2.07±0.30(Predicted)
• Flash Point: °C
• PSA: 89.61000
• Density: 1.57g/cm³
• LogP: 0.37500
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.06472551
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=NC(=NN12)C(=O)O)C

Technology Process of 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

There total 3 articles about 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic 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: 97.0%

ethyl 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (114040-29-8) → 5,7-dimethyl-1,2,4-triazolo<1,5-a>pyrimidine-2-carboxylic acid (87253-62-1)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃; for 12h;

Reference yield: 52.0%

5-amino-1H-[1,2,4]triazole-3-carboxylic acid (3641-13-2) + acetylacetone (123-54-6,81235-32-7) → 5,7-dimethyl-1,2,4-triazolo<1,5-a>pyrimidine-2-carboxylic acid (87253-62-1)

Guidance literature:

With piperidine; sodium hydroxide; for 16h; Heating;

DOI:10.1002/jhet.5570200345

Reference yield:

acetylacetone (123-54-6,81235-32-7) → 5,7-dimethyl-1,2,4-triazolo<1,5-a>pyrimidine-2-carboxylic acid (87253-62-1)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine / 72 h / Inert atmosphere; Reflux

2: hydrogenchloride; water / Inert atmosphere

With piperidine; hydrogenchloride; water;

DOI:10.1016/j.bmcl.2014.02.054

upstream raw materials:

5-amino-1H-[1,2,4]triazole-3-carboxylic acid

acetylacetone

ethyl 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Downstream raw materials:

5,7-dimethyl-N-(2-(trifluoromethyl)phenylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-chlorophenylsulfonyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-bromophenylsulfonyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

methyl 2-(N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)sulfamoyl)benzoate