Ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• CAS No.: 161374-08-9
• Molecular Formula: C₁₄H₁₅N₃O₅
• Molecular Weight: 305.29
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30345259
• Nikkaji Number: J869.871F
• ChEMBL ID: CHEMBL377528
• Mol file: 161374-08-9.mol

Synonyms:161374-08-9;ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;6-Methyl-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester;ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate;MFCD00186884;ethyl 2-hydroxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate;6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester;Oprea1_180073;Oprea1_443098;CBDivE_009671;SCHEMBL5339709;DTXSID30345259;STK068647;STL352443;AKOS000422632;AKOS002237798;AKOS016038020;AKOS016088641;UPCMLD0ENAT0501-1268:001;EU-0033798;AB00685397-01;EN300-18174567;SR-01000407757;SR-01000474809;SR-01000407757-1;SR-01000474809-1;Z47751375;F0896-0357;2-HO-4-ME-6-(4-NITRO-PH)-1,6-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;5-(Ethoxycarbonyl)-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrimidine-2(1H)-one;6-ME-4-(4-NITRO-PH)-2-OXO-1,2,3,4-4H-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;ethyl 2-hydroxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydro-5-pyrimidinecarboxylate;Ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #;ethyl6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-, ethyl ester

Chemical Property of Ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 207-208.5 °C
• Refractive Index: 1.563
• Boiling Point: 461°Cat760mmHg
• PKA: 10.69±0.70(Predicted)
• Flash Point: 232.6°C
• PSA: 113.25000
• Density: 1.302g/cm³
• LogP: 2.96660
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 305.10117059
• Heavy Atom Count: 22
• Complexity: 503

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 2-HYDROXY-6-METHYL-4-(4-NITROPHENYL)-1,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C

Technology Process of Ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

There total 33 articles about Ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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: 100.0%

ethyl acetoacetate (141-97-9) + 4-nitrobenzaldehdye (555-16-8) + urea (57-13-6) → ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (123371-45-9,161374-08-9)

Guidance literature:

With 1-methylimidazole based ionic liquid terminated dendritic moiety prepared from 2,4,6-trichloro-1,3,5-triazine and 1,3-diaminopropane immobilized on 3-aminopropyltriethoxysilane functionalized bentonite; In ethanol; water; at 50 ℃; for 3h; Green chemistry;

DOI:10.1016/j.molliq.2020.114393

Reference yield: 96.0%

monocarbamide dihydrogen sulfate (21351-39-3) + ethyl acetoacetate (141-97-9) + 4-nitrobenzaldehdye (555-16-8) → ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (123371-45-9,161374-08-9)

Guidance literature:

With urea; at 65 ℃; for 3h;

DOI:10.3987/COM-04-10312

Reference yield: 95.0%

ethyl acetoacetate (141-97-9) + 4-nitrobenzyl chloride (100-14-1) + urea (57-13-6) → ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (123371-45-9,161374-08-9)

Guidance literature:

4-nitrobenzyl chloride; With bismuth(III) nitrate; tetrabutyl ammonium fluoride; at 120 ℃;

ethyl acetoacetate; urea; at 120 ℃;

DOI:10.1055/s-2005-861876

upstream raw materials:

ethyl acetoacetate

4-nitrobenzaldehdye

urea

4-nitrobenzyl chloride

Downstream raw materials:

ethyl-4-(4-(9-(4-chlorophenyl)-1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin-10(9H)-yl)phenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxopyrimidine-5-carboxylate

ethyl-1,2,3,4-tetrahydro-4-(4-(1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9-(4-nitrophenyl)-1,8-dioxoacridin-10(9H)-yl)phenyl)-6-methyl-2-oxopyrimidine-5-carboxylate

ethyl-1,2,3,4-tetrahydro-4-(4-(1,2,3,4,5,6,7,8-octahydro-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxoacridin-10(9H)-yl)phenyl)-6-methyl-2-oxopyrimidine-5-carboxylate

ethyl-1,2,3,4-tetrahydro-4-(4-(1,2,3,4,5,6,7,8-octahydro-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxoacridin-10(9H)-yl)phenyl)-6-methyl-2-oxopyrimidine-5-carboxylate

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