5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Base Information

• Chemical Name: 5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• CAS No.: 334507-31-2
• Molecular Formula: C₁₃H₁₃N₅
• Molecular Weight: 239.28
• DSSTox Substance ID: DTXSID101322331
• ChEMBL ID: CHEMBL492528

Synonyms:5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;Oprea1_432711;Oprea1_818712;MLS001204394;CHEMBL492528;DSM-97;SCHEMBL4104295;BDBM28816;DTXSID101322331;HMS2843E19;(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine;STL149591;AKOS000676719;AKOS005749707;WAY-237190;triazolopyrimidine-based compound, DSM97;334507-31-2;SMR000523864;AB00820883-04;SR-01000422728;SR-01000422728-1;5-methyl-N-(p-tolyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-methyl-N-[(7Z)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline

Chemical Property of 5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.11709544
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=CC(=NC3=NC=NN23)C

Technology Process of 5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

There total 4 articles about 5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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: 70.0%

3-amino-1,2,4-triazole (61-82-5) + 3-oxo-N-p-tolyl-thiobutyramide (60728-85-0) → 5-methyl-N-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (334507-31-2)

Guidance literature:

at 130 ℃; for 0.5h;

DOI:10.1134/S1070428008100229

Reference yield: 32.0%

3-amino-1,2,4-triazole (61-82-5) + 3-oxo-N-p-tolyl-thiobutyramide (60728-85-0) → 7-methyl-4,5-dihyrdo[1,2,4]triazolo[1,5-a]pyrimidin-5-thione + 5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-7-thione (41081-80-5) + 5-methyl-N-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (334507-31-2)

Guidance literature:

With acetic acid; at 100 ℃; for 5h;

DOI:10.1134/S1070428008100229

Reference yield:

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (24415-66-5) + p-toluidine (106-49-0,12221-03-3) → 5-methyl-N-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (334507-31-2)

Guidance literature:

In ethanol; at 20 ℃; Combinatorial reaction / High throughput screening (HTS);

DOI:10.1021/jm801343r

upstream raw materials:

3-amino-1,2,4-triazole

3-oxo-N-p-tolyl-thiobutyramide

7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

p-toluidine

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