4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
• CAS No.: 32092-18-5
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.212
• Hs Code.: 2933990090
• Mol file: 32092-18-5.mol

Synonyms:Ethyl4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate; NSC 518312

Chemical Property of 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 3.3E-05mmHg at 25°C
• Melting Point: 110-111 °C
• Boiling Point: 354.7°C at 760 mmHg
• PKA: 1.50±0.50(Predicted)
• Flash Point: 168.3°C
• PSA: 60.67000
• Density: 1.29g/cm³
• LogP: 0.87120
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester

There total 3 articles about 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester 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: 97.0%

3-ethoxy-3-oxo-2-(pyridine-2-yl-aminomethylene)-propanoic acid ethyl ester (39080-52-9) → ethyl 4-oxo-4H-pyrido<1,2-a>pyrimidine-3-carboxylate (32092-18-5)

Guidance literature:

With ortho-chlorobenzoic acid; at 250 ℃; for 1h; Microwave irradiation;

DOI:10.1007/s00044-012-0241-5

Reference yield:

2-aminopyridine (504-29-0) + diethyl 2-ethoxymethylenemalonate (87-13-8) → ethyl 4-oxo-4H-pyrido<1,2-a>pyrimidine-3-carboxylate (32092-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 2 h / Reflux

2: tetrahydrofuran / 0.02 h / 360 °C / 97509.8 Torr / Flash vacuum pyrolysis; Autoclave

In tetrahydrofuran; ethanol; 2: Gould-Jacobs type cyclization;

DOI:10.1016/j.tetlet.2011.11.125

Reference yield:

→ ethyl 4-oxo-4H-pyrido<1,2-a>pyrimidine-3-carboxylate (32092-18-5)

Guidance literature:

Diethyl-α-pyridylaminomethylenmalonat (XVII), POCl3, PPS;

upstream raw materials:

3-ethoxy-3-oxo-2-(pyridine-2-yl-aminomethylene)-propanoic acid ethyl ester

2-aminopyridine

diethyl 2-ethoxymethylenemalonate

Downstream raw materials:

4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

4-oxo-1,6,7,8,9,9a-hexahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester

ethyl 4-oxo-6,7,8,9-tetrahydro-4H-pyrido<1,2-a>pyrimidine-3-carboxylate

3-(5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl)-4H-pyrido[1,2-a]pyrimidin-4-one