Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)-

Base Information

• Chemical Name: Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)-
• CAS No.: 154496-72-7
• Molecular Formula: C₁₃H₁₈N₄S
• Molecular Weight: 262.379
• DSSTox Substance ID: DTXSID80165646
• Wikidata: Q83034885
• Mol file: 154496-72-7.mol

Synonyms:2-Isopropylthio-6-methyl-4-(1-(3,5-dimethylpyrazolyl))pyrimidine;Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)-;4-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)pyrimidine;154496-72-7;2-isopropylthio-6-methyl-4-[1-(3,5-dimethylpyrazolyl)]pyrimidine;DTXSID80165646;LS-135003

Chemical Property of Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)-

Chemical Property:

• Vapor Pressure: 2.33E-06mmHg at 25°C
• Boiling Point: 403.7°C at 760 mmHg
• Flash Point: 197.9°C
• Density: 1.19g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.12521776
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC(C)C)N2C(=CC(=N2)C)C

Technology Process of Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)-

There total 2 articles about Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)- 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: 76.0%

4-hydrazino-2-isopropylsulfanyl-6-methyl-pyrimidine (90112-05-3) + acetylacetone (123-54-6,81235-32-7) → 2-isopropylthio-6-methyl-4-[1-(3,5-dimethylpyrazolyl)]pyrimidine (154496-72-7)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 0.0833333h; Heating;

DOI:10.1007/BF00779914

Reference yield:

4-chloro-2-isopropylsulfanyl-6-methyl-pyrimidine (90003-00-2) → 2-isopropylthio-6-methyl-4-[1-(3,5-dimethylpyrazolyl)]pyrimidine (154496-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / K₂CO₃, 85percent N₂H₄*H₂O / ethanol / 1.5 h / Heating

2: 76 percent / 2 N HCl / propan-2-ol / 0.08 h / Heating

With hydrogenchloride; potassium carbonate; hydrazine hydrate; In ethanol; isopropyl alcohol;

upstream raw materials:

4-hydrazino-2-isopropylsulfanyl-6-methyl-pyrimidine

acetylacetone

4-chloro-2-isopropylsulfanyl-6-methyl-pyrimidine