Barbituric acid, 1,3-diphenyl-5-ethyl-

Base Information

• Chemical Name: Barbituric acid, 1,3-diphenyl-5-ethyl-
• CAS No.: 741-81-1
• Molecular Formula: C18H16N2O3
• Molecular Weight: 308.33
• DSSTox Substance ID: DTXSID20225011
• Nikkaji Number: J105.499F
• Wikidata: Q83103878
• Mol file: 741-81-1.mol

Synonyms:Barbituric acid, 1,3-diphenyl-5-ethyl-;741-81-1;5-ethyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,3-Diphenyl-5-ethylbarbituric acid;BRN 0307730;1,3-Diphenyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;SCHEMBL17358727;DTXSID20225011

Chemical Property of Barbituric acid, 1,3-diphenyl-5-ethyl-

Chemical Property:

• Vapor Pressure: 7.2E-08mmHg at 25°C
• Boiling Point: 437.9°C at 760 mmHg
• Flash Point: 188.3°C
• PSA: 57.69000
• Density: 1.263g/cm³
• LogP: 3.34260
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 308.11609238
• Heavy Atom Count: 23
• Complexity: 439

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Barbituric acid, 1,3-diphenyl-5-ethyl-

There total 6 articles about Barbituric acid, 1,3-diphenyl-5-ethyl- 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: 82.0%

6-Dimethylamino-5-ethyl-1,3-diphenyl-1H-pyrimidine-2,4-dione (93251-15-1) → 1,3-Diphenyl-5-ethylbarbituric acid (741-81-1)

Guidance literature:

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

Reference yield: 40.0%

1,3-diphenylbarbituric acid (7391-60-8) + triethylamine (121-44-8) → 1,3-Diphenyl-5-ethylbarbituric acid (741-81-1) + 1,3-Diphenyl-5,5-diethylbarbituric acid

Guidance literature:

With water; at 180 ℃; for 1h;

Reference yield:

phenyl isocyanate (103-71-9) → 1,3-Diphenyl-5-ethylbarbituric acid (741-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 46.9 percent / toluene / 15 h / Heating

2: 81.5 percent / hydrochloric acid / 2 h / Heating

With hydrogenchloride; In toluene;

upstream raw materials:

ethylmalonic acid

bis(diphenyl)urea

6-Dimethylamino-5-ethyl-1,3-diphenyl-1H-pyrimidine-2,4-dione

1,3-diphenylbarbituric acid