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

Base Information

• Chemical Name: 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS No.: 7681-99-4
• Molecular Formula: C7H8 N4
• Molecular Weight: 148.167
• Hs Code.: 2933990090
• European Community (EC) Number: 621-061-5
• NSC Number: 91495
• DSSTox Substance ID: DTXSID40227633
• Nikkaji Number: J15.011H
• Wikidata: Q83107440
• ChEMBL ID: CHEMBL1505785
• Mol file: 7681-99-4.mol

Synonyms:5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine;AR 12160;AR-12-160

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

Chemical Property:

• Melting Point: 136-139 °C(lit.)
• PSA: 43.08000
• Density: 1.33g/cm³
• LogP: 0.74110
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.074896272
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

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

There total 2 articles about 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine 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: 74.5%

diphenylcyclopropenone (886-38-4) + 5,7-dimethyl<1,2,4>triazolo<1,5-a>pyrimidinio-3(4-bromo-phenacylide) → 6-(4-bromo-phenyl)-3,4-diphenyl-2H-pyran-2-one (14966-77-9) + 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (7681-99-4)

Guidance literature:

With triethylamine; In acetonitrile; 1.) 0 deg C; 2 h; 2.) r.t., 5 h;

Reference yield:

formic acid (64-18-6) + 2-hydrazino-4,6-dimethylpyrimidine (23906-13-0) → 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (7681-99-4)

Guidance literature:

With water;

DOI:10.1039/jr9570000727

Reference yield: 85.4%

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (7681-99-4) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 3-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium; bromide (104499-00-5)

Guidance literature:

In acetone; for 24h; Heating;

upstream raw materials:

formic acid

2-hydrazino-4,6-dimethylpyrimidine

diphenylcyclopropenone

Downstream raw materials:

5,7-dimethyl-3-phenacyl<1,2,4>triazolo<1,5-a>pyrimidinium bromide

3-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium; bromide

2-(2-imino-5-phenyl-2,3-dihydro-oxazol-3-yl)-4,6-dimethylpyrimidine

4,6-dimethyl-2-(2-oxo-5-phenyloxazol-3-yl)pyrimidine