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

Base Information

• Chemical Name: 5,7-Dimethyl-2-(propylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
• CAS No.: 51646-18-5
• Molecular Formula: C₁₀H₁₄N₄S
• Molecular Weight: 222.314
• DSSTox Substance ID: DTXSID50365297
• Wikidata: Q82149846
• ChEMBL ID: CHEMBL336867
• Mol file: 51646-18-5.mol

Synonyms:51646-18-5;5,7-dimethyl-2-(propylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine;5,7-Dimethyl-2-propylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine;5,7-Dimethyl-2-(propylthio)-[1,2,4]triazolo[1,5-a]pyrimidine;5,7-dimethyl-2-(propylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine;CHEMBL336867;DTXSID50365297;CVMHSASTUPISRA-UHFFFAOYSA-N;MFCD03079849;AKOS008302806;7X-0895;AN-646/40796718;SR-01000307393;SR-01000307393-1

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

Chemical Property:

• PSA: 68.38000
• LogP: 2.24320
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.09391764
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

5,7-DIMETHYL-2-(PROPYLSULFANYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC1=NN2C(=CC(=NC2=N1)C)C

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

There total 3 articles about 5,7-Dimethyl-2-(propylsulfanyl)[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: 82.0%

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol (51646-17-4) → 5,7-dimethyl-2-propylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (51646-18-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jm00346a017

Reference yield:

acetylacetone (123-54-6,81235-32-7) → 5,7-dimethyl-2-propylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (51646-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid, piperidine / 10 h / Heating

2: 82 percent / aq. potassium hydroxide

With piperidine; potassium hydroxide; acetic acid;

DOI:10.1021/jm00346a017

Reference yield:

→ 5,7-dimethyl-2-propylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (51646-18-5)

Guidance literature:

5,7-Dimethyl-2-merkapto-s-triazolo<1,5-a>-pyrimidin,NaOH,n-Propylchlorid;

upstream raw materials:

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

acetylacetone

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