3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoic acid

Base Information

• Chemical Name: 3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoic acid
• CAS No.: 2950-86-9
• Molecular Formula: C₇H₇N₃O₆
• Molecular Weight: 229.149
• NSC Number: 74248
• DSSTox Substance ID: DTXSID90291223
• Wikidata: Q82029108
• Mol file: 2950-86-9.mol

Synonyms:2950-86-9;3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoic acid;NSC74248;3-(5-nitro-2,4-dioxopyrimidin-1-yl)propanoic acid;DTXSID90291223;NSC-74248;AKOS013110795

Chemical Property of 3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.7g/cm³
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 229.03348495
• Heavy Atom Count: 16
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1CCC(=O)O)[N+](=O)[O-]

Technology Process of 3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoic acid

There total 3 articles about 3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-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: 96.0%

3-(3,4-dihydro-5-nitro-2,4-dioxo-(2H)pyrimidin-1-yl)propanoic acid methyl ester (918968-22-6) → 3,4-Dihydro-2,4-dioxo-5-nitro-1(2H)-pyrimidinpropionsaeure (2950-86-9)

Guidance literature:

With hydrogenchloride; water; Reflux;

DOI:10.1080/15257770902736467

Reference yield: 78.0%

1-(2,4-dinitrophenyl)-5-nitrouracil (903572-30-5) + 3-amino propanoic acid (107-95-9) → 3,4-Dihydro-2,4-dioxo-5-nitro-1(2H)-pyrimidinpropionsaeure (2950-86-9)

Guidance literature:

With triethylamine; In water; N,N-dimethyl-formamide; for 48h;

DOI:10.1016/j.tet.2010.08.059

Reference yield:

→ 3,4-Dihydro-2,4-dioxo-5-nitro-1(2H)-pyrimidinpropionsaeure (2950-86-9)

Guidance literature:

3,4-Dihydro-2,4-dioxo-1(2H)-pyrimidinpropionsaeure, conc.Eg./conc.H2SO4/rauch. HNO3;

DOI:10.1021/jm00326a009

upstream raw materials:

3-(3,4-dihydro-5-nitro-2,4-dioxo-(2H)pyrimidin-1-yl)propanoic acid methyl ester

1-(2,4-dinitrophenyl)-5-nitrouracil

3-amino propanoic acid

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