Ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate

Base Information

• Chemical Name: Ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate
• CAS No.: 2950-88-1
• Molecular Formula: C9H11 N3 O6
• Molecular Weight: 257.2001
• NSC Number: 74246
• DSSTox Substance ID: DTXSID70291221
• Wikidata: Q82029105

Synonyms:ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate;2950-88-1;NSC74246;DTXSID70291221;NSC-74246;AKOS013111855

Chemical Property of Ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate

Chemical Property:

• Density: 1.46g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 257.06478508
• Heavy Atom Count: 18
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCN1C=C(C(=O)NC1=O)[N+](=O)[O-]

Technology Process of Ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate

There total 3 articles about Ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate 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: 79.0%

5-nitrobarbituric acid (611-08-5,28806-18-0) + ethyl acrylate (140-88-5,9003-32-1) → 3-(5-nitro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)propionic acid ethyl ester (2950-88-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.3184/174751912X13282923623804

Reference yield: 18.0%

5-nitrobarbituric acid (611-08-5,28806-18-0) + Ethyl 3-bromopropionate (539-74-2) → 3-(5-nitro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)propionic acid ethyl ester (2950-88-1)

Guidance literature:

5-nitrobarbituric acid; With sodium hydride; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

Ethyl 3-bromopropionate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Further stages.;

DOI:10.1021/jm011113b

Reference yield:

→ 3-(5-nitro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)propionic acid ethyl ester (2950-88-1)

Guidance literature:

3-<3,4-Dihydro-2,4-dioxo-5-nitro-1(2H)-pyrimidin>-propionsaeure, A./HCl-gesaett., (0grad);

DOI:10.1021/jm00326a009

upstream raw materials:

5-nitrobarbituric acid

Ethyl 3-bromopropionate

ethyl acrylate

Downstream raw materials:

3-(5--3,4-dihydro-2,4-dioxo-1(2H)-pyrimidin)-propionsaeure

ethyl 3-[5-amino-2,4-(1H,3H)pyrimidinedione]propanoate

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