4,5-Pyrimidinedicarboxylic acid (9CI)

Base Information

• Chemical Name: 4,5-Pyrimidinedicarboxylic acid (9CI)
• CAS No.: 54001-63-7
• Molecular Formula: C6H4N2O4
• Molecular Weight: 168.10696
• Hs Code.: 2933599090
• Mol file: 54001-63-7.mol

Synonyms:Pyrimidine-4,5-dicarboxylic acid;

Chemical Property of 4,5-Pyrimidinedicarboxylic acid (9CI)

Chemical Property:

• Vapor Pressure: 4.63E-09mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 454.8 °C at 760 mmHg
• PKA: 1.79±0.10(Predicted)
• Flash Point: 228.8 °C
• PSA: 100.38000
• Density: 1.665 g/cm³
• LogP: -0.12700

Purity/Quality:

99%, ^*data from raw suppliers

4,5-PYRIMIDINEDICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,5-Pyrimidinedicarboxylic acid (9CI)

There total 3 articles about 4,5-Pyrimidinedicarboxylic acid (9CI) 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: 90.0%

diethyl pyrimidine-4,5-dicarboxylate (36978-53-7) → Pyrimidine-4,5-dicarboxylic acid (54001-63-7)

Guidance literature:

With sodium hydroxide; at 50 ℃; for 3h;

DOI:10.1002/jhet.5570300624

Reference yield:

diethyl(ethoxymethylene)oxalacetate (52942-64-0,55130-49-9) → Pyrimidine-4,5-dicarboxylic acid (54001-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / benzene / 2.5 h / Heating

2: 90 percent / 4N aq. NaOH / 3 h / 50 °C

With sodium hydroxide; In benzene;

DOI:10.1002/jhet.5570300624

Reference yield:

quinazoline (253-82-7) → Pyrimidine-4,5-dicarboxylic acid (54001-63-7)

Guidance literature:

With potassium permanganate;

upstream raw materials:

diethyl pyrimidine-4,5-dicarboxylate

quinazoline

diethyl(ethoxymethylene)oxalacetate

Downstream raw materials:

4-(2',5'-difluorobenzoyl)pyrimidine-5-carboxylic acid

furo<3,4-d>pyrimidine-5,7-dione

Refernces