1,6-Dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid

Base Information

• Chemical Name: 1,6-Dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid
• CAS No.: 98772-02-2
• Molecular Formula: C14H15N3O4
• Molecular Weight: 289.2866
• DSSTox Substance ID: DTXSID60243799
• Wikidata: Q83127968
• Mol file: 98772-02-2.mol

Synonyms:BRN 5597280;1,6-Dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid;98772-02-2;1,4-Dihydro-4-oxo-2-((2-propoxyphenyl)amino)-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-((2-propoxy)phenyl)amino)-;SCHEMBL10784020;DTXSID60243799;SYPFQPZYPNNRJU-UHFFFAOYSA-N;LS-134853

Chemical Property of 1,6-Dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.36g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 289.10625597
• Heavy Atom Count: 21
• Complexity: 473

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)O

Technology Process of 1,6-Dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid

There total 3 articles about 1,6-Dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic 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: 62.0%

ethyl 1,6-dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylate (98771-56-3) → 1,6-dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid (98772-02-2)

Guidance literature:

With sodium hydroxide; In methanol; at 80 ℃; for 2h;

DOI:10.1248/cpb.37.1780

Reference yield:

1-nitro-2-propoxybenzene (3079-53-6) → 1,6-dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid (98772-02-2)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen / 10percent Pd/C / methanol

2: 72 percent / 2 h / 130 °C

3: 62 percent / 4percent aq. NaOH / methanol / 2 h / 80 °C

With sodium hydroxide; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1248/cpb.37.1780

Reference yield:

2-propoxyaniline (4469-78-7) → 1,6-dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylic acid (98772-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / 2 h / 130 °C

2: 62 percent / 4percent aq. NaOH / methanol / 2 h / 80 °C

With sodium hydroxide; In methanol;

DOI:10.1248/cpb.37.1780

upstream raw materials:

ethyl 1,6-dihydro-2-(2-propoxyanilino)-6-oxo-5-pyrimidinecarboxylate

1-nitro-2-propoxybenzene

2-propoxyaniline