5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-

Base Information

• Chemical Name: 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-
• CAS No.: 98772-05-5
• Molecular Formula: C15H17N3O4
• Molecular Weight: 303.318
• DSSTox Substance ID: DTXSID20913087
• Mol file: 98772-05-5.mol

Synonyms:1,6-dihydro-2-(2-(2-methylpropoxy)anilino)-6-oxo-5-pyrimidinecarboxylic acid;MAR 99;MAR-99

Chemical Property of 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.33g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 303.12190603
• Heavy Atom Count: 22
• Complexity: 501

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)OC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)O

Technology Process of 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-

There total 4 articles about 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo- 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: 57.0%

ethyl 1,6-dihydro-2-[2-(2-methylpropoxy)anilino]-6-oxo-5-pyrimidinecarboxylate (98771-59-6) → 1,6-dihydro-2-<2-(2-methylpropoxy)anilino>-6-oxo-5-pyrimidinecarboxylic acid (98772-05-5)

Guidance literature:

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

DOI:10.1248/cpb.37.1780

Reference yield:

ethyl 3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carboxylate (53554-29-3) → 1,6-dihydro-2-<2-(2-methylpropoxy)anilino>-6-oxo-5-pyrimidinecarboxylic acid (98772-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / 2 h / 130 °C

2: 57 percent / 4percent aq. NaOH / methanol / 2 h / 80 °C

With sodium hydroxide; In methanol;

DOI:10.1248/cpb.37.1780

Reference yield:

1-isobutoxy-2-nitrobenzene (56245-02-4) → 1,6-dihydro-2-<2-(2-methylpropoxy)anilino>-6-oxo-5-pyrimidinecarboxylic acid (98772-05-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen / 10percent Pd/C / methanol

2: 74 percent / 2 h / 130 °C

3: 57 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

upstream raw materials:

ethyl 1,6-dihydro-2-[2-(2-methylpropoxy)anilino]-6-oxo-5-pyrimidinecarboxylate

ethyl 3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carboxylate

1-isobutoxy-2-nitrobenzene

2-(2-methylpropoxy)benzenamine

Refernces

• 1、 -. "2-anilino-1,6-dihydro-6-oxo-5-pyrimidine-carboxylic acid derivatives, process for the preparation thereof, and antiallergic agent containing the same". . . Retrieved 2008/06/13.