1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Base Information

• Chemical Name: 1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• CAS No.: 7391-60-8
• Molecular Formula: C16H12N2O3
• Molecular Weight: 280.283
• DSSTox Substance ID: DTXSID501251346
• Nikkaji Number: J738.457B
• ChEMBL ID: CHEMBL1476803
• Mol file: 7391-60-8.mol

Synonyms:1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione;7391-60-8;1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,3-Diphenyl-pyrimidine-2,4,6-trione;1,3-diphenylpyrimidine-2,4,6(1H,3H,5H)-trione;Oprea1_156697;Oprea1_423172;1,3-diphenyl-barbituric acid;MLS001203795;SCHEMBL437784;CHEMBL1476803;DTXSID501251346;HMS1675H19;HMS2814C22;Cl-5989;BBL025893;STK346705;AKOS000288859;CCG-104051;SMR000514658;VS-08136;CS-0116608;1,3-diphenyl-hexahydro-pyrimidine-2,4,6-trione;SR-01000401384;SR-01000401384-1

Chemical Property of 1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Chemical Property:

• Vapor Pressure: 2.49E-07mmHg at 25°C
• Boiling Point: 422°C at 760 mmHg
• Flash Point: 189°C
• Density: 1.357g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 280.08479225
• Heavy Atom Count: 21
• Complexity: 399

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

There total 21 articles about 1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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%

Methyl 4,6-diaza-3,5-dioxo-4,6-diphenylhexanoate (122347-21-1) → 1,3-diphenylbarbituric acid (7391-60-8)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 0.5h; Ambient temperature;

DOI:10.1055/s-1989-27151

Reference yield: 86.0%

6-dimethylamino-1,3-diphenyl-1H-pyrimidine-2,4-dione (40750-25-2) → 1,3-diphenylbarbituric acid (7391-60-8)

Guidance literature:

With hydrogenchloride; In water; for 2h; Heating;

Reference yield: 75.0%

malonoyl dichloride (1663-67-8) + bis(diphenyl)urea (102-07-8) → 1,3-diphenylbarbituric acid (7391-60-8)

Guidance literature:

In chloroform; at 80 ℃; for 4h;

DOI:10.1016/j.saa.2019.117168

upstream raw materials:

malonic acid

N,N-diphenylurea

ethanol

5-benzhydrylidene-1,3-diphenyl-pyrimidine-2,4,6-trione

Downstream raw materials:

5-(4-Chlorphenyl)-7-ethoxy-1,3,7-trimethyl-1,3,4,5,6,7-hexahydro-2H-pyrano<3,2-e>pyrimidin-2,4-dion

5-<1-(4-Chlorphenyl)-3-oxo-butyl>-1,3-diphenyl-hexahydropyrimidin-2,4,6-trion

5-(1-Hydroxy-3-phenyl-propenyliden)-1,3-diphenyl-hexahydropyrimidin-2,4,6-trion

5-(1-Hydroxyethyliden)-1,3-diphenyl-hexahydropyrimidin-2,4,6-trion