Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Base Information

• Chemical Name: Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
• CAS No.: 938189-69-6
• Molecular Formula: C₁₇H₂₀N₂O₅
• Molecular Weight: 332.356
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00583085
• Nikkaji Number: J2.457.721J
• Mol file: 938189-69-6.mol

Synonyms:938189-69-6;Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate;Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate;ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate;EB-0084;DTXSID00583085;MFCD09817437;AKOS005072402;SB57997;J-521159;Ethyl6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property of Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Chemical Property:

• Melting Point: 185～188℃
• PSA: 93.73000
• LogP: 2.46850
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 332.13722174
• Heavy Atom Count: 24
• Complexity: 523

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC

Technology Process of Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

There total 1 articles about Ethyl 6-(2-ethoxy-2-oxoethyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 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: 98.0%

benzaldehyde (100-52-7) + urea (57-13-6) + diethyl 1,3-acetonedicarboxylate (105-50-0) → ethyl 6-(ethoxycarbonylmethyl)-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (938189-69-6)

Guidance literature:

With toluene-4-sulfonic acid; at 80 ℃; for 3h;

DOI:10.1002/jhet.5570440228

upstream raw materials:

benzaldehyde

urea

diethyl 1,3-acetonedicarboxylate