1,3-Dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Base Information

• Chemical Name: 1,3-Dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione
• CAS No.: 82657-34-9
• Molecular Formula: C15H18N2O3
• Molecular Weight: 274.32
• ChEMBL ID: CHEMBL3103711
• DSSTox Substance ID: DTXSID20513844
• Wikidata: Q82373848

Synonyms:82657-34-9;CHEMBL3103711;DTXSID20513844;1,3-Dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione;1,3-dimethyl-5-(3-phenylpropyl)barbituric acid

Chemical Property of 1,3-Dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.13174244
• Heavy Atom Count: 20
• Complexity: 378

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(C(=O)N(C1=O)C)CCCC2=CC=CC=C2

Technology Process of 1,3-Dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione

There total 7 articles about 1,3-Dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione 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: 94.0%

(E)-1,3-dimethyl-5-(3-phenylallylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (115984-23-1) → 1,3-dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione (82657-34-9)

Guidance literature:

With acetic acid; zinc; at 20 ℃;

DOI:10.1016/S0040-4039(03)00111-4

Reference yield: 66.0%

3-phenyl-propionaldehyde (104-53-0) + 1,3-dimethylbarbituric acid (769-42-6) → 1,3-dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione (82657-34-9)

Guidance literature:

With calcium hydride; 5%-palladium/activated carbon; caesium carbonate; at 100 ℃; Sealed tube; Inert atmosphere;

DOI:10.1039/c5ob00849b

Reference yield: 20.0%

1,3-dimethylbarbituric acid (769-42-6) + 1-Bromo-3-phenylpropane (637-59-2) → 1,3-dimethyl-5-(3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione (82657-34-9)

Guidance literature:

With triethylamine; In chloroform; at 70 ℃;

DOI:10.1023/A:1022163710687

upstream raw materials:

(E)-1,3-dimethyl-5-(3-phenylallylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

1,3-dimethylbarbituric acid

1-Bromo-3-phenylpropane

(E)-3-phenylpropenal

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