3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid

Base Information

• Chemical Name: 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid
• CAS No.: 28181-39-7
• Molecular Formula: C₈H₁₀N₂O₄
• Molecular Weight: 198.178
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90557917
• Wikidata: Q82439983
• Mol file: 28181-39-7.mol

Synonyms:3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid;28181-39-7;3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid;3-(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)PROPANOICACID;DTXSID90557917;AKOS005208532;AKOS005661663;SB56855;VS-10174;EN300-25735;G32322;F2158-0577;Z217165576;3-(6-methyl-2, 4-dioxo-1H-pyrimidin-5-yl)propanoic acid

Chemical Property of 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid

Chemical Property:

• Refractive Index: 1.517
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 103.54000
• Density: 1.325g/cm³
• LogP: 0.21340
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.06405680
• Heavy Atom Count: 14
• Complexity: 332

Purity/Quality:

97% ^*data from raw suppliers

3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=O)N1)CCC(=O)O

Technology Process of 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid

There total 4 articles about 3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic 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: 81.0%

ethyl 3-(1,2,3,4-tetrahydro-2,4-dioxo-6-methyl-5-pyrimidinyl)propanoate (18149-72-9) → 3-(1,2,3,4-tetrahydro-2,4-dioxo-6-methyl-5-pyrimidinyl)propanoic acid (28181-39-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; methanol;

DOI:10.1002/recl.19921110401

Reference yield:

Ethyl (E)-3-(2,4-Dioxo-6-methyl-5-pyrimidinyl)acrylate (28277-68-1) → 3-(1,2,3,4-tetrahydro-2,4-dioxo-6-methyl-5-pyrimidinyl)propanoic acid (28181-39-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / H₂ / 10percent palladium on carbon / dimethylformamide / 4 h

2: 81 percent / 4N NaOH / methanol; dioxane

With sodium hydroxide; hydrogen; palladium on activated charcoal; In 1,4-dioxane; methanol; N,N-dimethyl-formamide;

DOI:10.1002/recl.19921110401

Reference yield:

→ 3-(1,2,3,4-tetrahydro-2,4-dioxo-6-methyl-5-pyrimidinyl)propanoic acid (28181-39-7)

Guidance literature:

Amin 2d, NaOH;

DOI:10.1021/jo00872a039

upstream raw materials:

ethyl 3-(1,2,3,4-tetrahydro-2,4-dioxo-6-methyl-5-pyrimidinyl)propanoate

Ethyl (E)-3-(2,4-Dioxo-6-methyl-5-pyrimidinyl)acrylate

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