5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester

Base Information

• Chemical Name: 5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester
• CAS No.: 343591-39-9
• Molecular Formula: C₁₄H₁₄Br₂N₂O₄
• Molecular Weight: 434.084
• DSSTox Substance ID: DTXSID301117021
• Mol file: 343591-39-9.mol

Synonyms:343591-39-9;5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester;Oprea1_015886;Oprea1_871020;DTXSID301117021;STL572955;AKOS000530381;AKOS002238591;AKOS016088713;AKOS016337758;SR-01000358009;SR-01000358009-1;Ethyl 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylate;ETHYL 4-(3,5-DIBROMO-4-HYDROXYPHENYL)-2-HYDROXY-6-METHYL-1,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE

Chemical Property of 5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 433.92998
• Heavy Atom Count: 22
• Complexity: 485

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Br)O)Br)C

Technology Process of 5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester

There total 1 articles about 5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester 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: 90.0%

3,5-dibromo-4-hydroxybenzaldehyde (2973-77-5) + ethyl acetoacetate (141-97-9) + urea (57-13-6) → ethyl 4-(3,5-dibromo-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (343591-39-9)

Guidance literature:

With thiophene boronic acid; In acetonitrile; for 5h; Reflux;

DOI:10.3184/174751912X13318375421203

upstream raw materials:

3,5-dibromo-4-hydroxybenzaldehyde

ethyl acetoacetate

urea