6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

Base Information

• Chemical Name: 6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
• CAS No.: 62053-06-9
• Molecular Formula: C₈H₁₀N₄O₂
• Molecular Weight: 194.193
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50396329
• Nikkaji Number: J29.687B
• Wikidata: Q82196984
• Mol file: 62053-06-9.mol

Synonyms:62053-06-9;6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one;6-(2-hydroxyethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;6-(2-Hydroxyethyl)-5-methyl[1,2,4]triazolo-[1,5-a]pyrimidin-7(4H)-one;6-(2-Hydroxyethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one;SCHEMBL11714380;SCHEMBL12769185;DTXSID50396329;MFCD03305839;STK231484;AKOS000631058;AKOS002542736;CCG-123765;FT-0680681;EN300-129726;8T-0259;J-517997;Z111831804;6-(2-hydroxyethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;6-(2-Hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one

Chemical Property of 6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

Chemical Property:

• Vapor Pressure: 9.55E-06mmHg at 25°C
• Melting Point: 265-266°
• Refractive Index: 1.727
• Boiling Point: 333.7°C at 760 mmHg
• Flash Point: 155.6°C
• PSA: 83.28000
• Density: 1.57g/cm³
• LogP: -0.73920
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.08037557
• Heavy Atom Count: 14
• Complexity: 370

Purity/Quality:

98%min ^*data from raw suppliers

6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N2C(=N1)N=CN2)CCO

Technology Process of 6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

There total 3 articles about 6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one 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: 89.0%

3-<<1-(tetrahydro-2-oxo-3-furyl)ethylidene>amino>-1,2,4-triazole (74258-03-0) → 6-(2-hydroxyethyl)-5-methyl-1,2,4-triazolo<1,5-a>pyrimidin-7(4H)-one (62053-06-9)

Guidance literature:

With triethylamine; In water; for 18h; Ambient temperature;

DOI:10.1021/jm00182a021

Reference yield:

3(5)-amino-1,2,4-triazole (61-82-5) + 3-acetyl-2-oxo-4,5-dihydrofuran (517-23-7,594837-91-9,98634-97-0,313643-49-1) → 6-(2-hydroxyethyl)-5-methyl-1,2,4-triazolo<1,5-a>pyrimidin-7(4H)-one (62053-06-9)

Guidance literature:

With boron trifluoride diethyl etherate; In isopropyl methanesulfonate; at 20 ℃; for 72.25h;

Reference yield:

3-acetyl-2-oxo-4,5-dihydrofuran (517-23-7,594837-91-9,98634-97-0,313643-49-1) → 6-(2-hydroxyethyl)-5-methyl-1,2,4-triazolo<1,5-a>pyrimidin-7(4H)-one (62053-06-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / BF₃*MeOH / ethanol / 72 h / Ambient temperature

2: 89 percent / Et₃N / H₂O / 18 h / Ambient temperature

With boron trifluoride methanol complex; triethylamine; In ethanol; water;

DOI:10.1021/jm00182a021

upstream raw materials:

3-<<1-(tetrahydro-2-oxo-3-furyl)ethylidene>amino>-1,2,4-triazole

3-acetyl-2-oxo-4,5-dihydrofuran

3⁽⁵⁾-amino-1,2,4-triazole

Downstream raw materials:

8-cyclohexyl-5-methyl-7,8-dihydro-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-8-(1-phenyl-ethyl)-7,8-dihydro-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-8-phenethyl-7,8-dihydro-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-8-(4-methyl-benzyl)-7,8-dihydro-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine

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