2-(4-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
• CAS No.: 56406-28-1
• Molecular Formula: C12H10N2O4
• Molecular Weight: 246.22
• ChEMBL ID: CHEMBL3228439
• DSSTox Substance ID: DTXSID50501658
• Wikidata: Q82354158

Synonyms:56406-28-1;CHEMBL3228439;SCHEMBL11780947;DTXSID50501658;2-(4-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid;AKOS002391811

Chemical Property of 2-(4-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

Chemical Property:

• Melting Point: 277-278 °C
• PKA: 3.07±0.20(Predicted)
• PSA: 92.28000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 1.14370
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 246.06405680
• Heavy Atom Count: 18
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

1,4-DIHYDRO-2-(4-METHOXYPHENYL)-4-OXO-5-PYRIMIDINECARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Technology Process of 2-(4-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

There total 4 articles about 2-(4-Methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid 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:

4-methoxybenzamidine hydrochloride (51721-68-7) + diethyl 2-ethoxymethylenemalonate (87-13-8) → 2-(4-methoxy-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid (56406-28-1)

Guidance literature:

With sodium methylate; In ethanol; water;

Reference yield:

→ 2-(4-methoxy-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid (56406-28-1)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 2-(4-methoxy-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid (56406-28-1)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

4-methoxybenzamidine hydrochloride

diethyl 2-ethoxymethylenemalonate

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